1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfonyl-2,3-dihydroindole;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamate;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate

C81H93N21O8S3 — CID 160801424

IUPAC1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfonyl-2,3-dihydroindole;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamate;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.COC(=O)Nc1ccc2c(c1)N(Cc1cnc[nH]1)CC2.CS(=O)(=O)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.CS(=O)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.CSc1ccc2c(c1)N(Cc1cnc[nH]1)CC2.NC(=O)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C15H18N4O2.C14H16N4O2.C13H14N4O.C13H15N3O2S.C13H15N3OS.C13H15N3S/c1-18(15(20)21-2)13-4-3-11-5-6-19(14(11)7-13)9-12-8-16-10-17-12;1-20-14(19)17-11-3-2-10-4-5-18(13(10)6-11)8-12-7-15-9-16-12;14-13(18)10-2-1-9-3-4-17(12(9)5-10)7-11-6-15-8-16-11;1-19(17,18)12-3-2-10-4-5-16(13(10)6-12)8-11-7-14-9-15-11;1-18(17)12-3-2-10-4-5-16(13(10)6-12)8-11-7-14-9-15-11;1-17-12-3-2-10-4-5-16(13(10)6-12)8-11-7-14-9-15-11/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,16,17);2-3,6-7,9H,4-5,8H2,1H3,(H,15,16)(H,17,19);1-2,5-6,8H,3-4,7H2,(H2,14,18)(H,15,16);2-3,6-7,9H,4-5,8H2,1H3,(H,14,15);2-3,6-7,9H,4-5,8H2,1H3,(H,14,15);2-3,6-7,9H,4-5,8H2,1H3,(H,14,15)
InChIKeySDCSXJSZKFCXRA-UHFFFAOYSA-N
MW1584.97 g/mol
LogP11.18
Rot. Bonds18

About 1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfonyl-2,3-dihydroindole;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamate;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate

1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfonyl-2,3-dihydroindole;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamate;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate (PubChem CID 160801424) has the molecular formula C81H93N21O8S3 and a molecular weight of 1584.97 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfonyl-2,3-dihydroindole;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamate;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfonyl-2,3-dihydroindole;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamate;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate
PubChem CID160801424
Molecular FormulaC81H93N21O8S3
Molecular Weight1584.97 g/mol
Exact Mass1583.67
IUPAC Name1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfonyl-2,3-dihydroindole;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamate;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.COC(=O)Nc1ccc2c(c1)N(Cc1cnc[nH]1)CC2.CS(=O)(=O)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.CS(=O)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.CSc1ccc2c(c1)N(Cc1cnc[nH]1)CC2.NC(=O)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C15H18N4O2.C14H16N4O2.C13H14N4O.C13H15N3O2S.C13H15N3OS.C13H15N3S/c1-18(15(20)21-2)13-4-3-11-5-6-19(14(11)7-13)9-12-8-16-10-17-12;1-20-14(19)17-11-3-2-10-4-5-18(13(10)6-11)8-12-7-15-9-16-12;14-13(18)10-2-1-9-3-4-17(12(9)5-10)7-11-6-15-8-16-11;1-19(17,18)12-3-2-10-4-5-16(13(10)6-12)8-11-7-14-9-15-11;1-18(17)12-3-2-10-4-5-16(13(10)6-12)8-11-7-14-9-15-11;1-17-12-3-2-10-4-5-16(13(10)6-12)8-11-7-14-9-15-11/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,16,17);2-3,6-7,9H,4-5,8H2,1H3,(H,15,16)(H,17,19);1-2,5-6,8H,3-4,7H2,(H2,14,18)(H,15,16);2-3,6-7,9H,4-5,8H2,1H3,(H,14,15);2-3,6-7,9H,4-5,8H2,1H3,(H,14,15);2-3,6-7,9H,4-5,8H2,1H3,(H,14,15)
InChIKeySDCSXJSZKFCXRA-UHFFFAOYSA-N
XLogP11.18
TPSA353.69 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001584.97
LogP ≤ 511.18
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze 1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfonyl-2,3-dihydroindole;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamate;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate with MolForge

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Related Compounds

N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]methanamine;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide
CID 157078924
N-[2-[4-[3-[4-(2-acetamidophenyl)cyclopenta-1,3-dien-1-yl]phenyl]cyclopenta-1,3-dien-1-yl]phenyl]acetamide;N-[4-[2-[3-[5-(4-acetamidophenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazol-5-yl]phenyl]acetamide;N-[3-[4-[3-[4-(3-acetamidophenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-2-yl]phenyl]acetamide;2-(4-benzylphenyl)-5-[3-[2-(4-benzylphenyl)-1H-imidazol-5-yl]phenyl]-1H-imidazole;1,3-bis[4-(4-methylsulfonylphenyl)cyclopenta-1,3-dien-1-yl]benzene;tert-butyl N-[4-[5-[3-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1H-imidazol-5-yl]phenyl]-1H-imidazol-2-yl]phenyl]carbamate;N-methyl-2-[5-[3-[4-[2-(methylcarbamoyl)phenyl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]benzamide;5-(2-methylsulfonylphenyl)-2-[3-[5-(2-methylsulfonylphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazole;molecular fluorine
CID 158321252
N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole
CID 158951687
6-(dimethylsulfamoylamino)-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]acetamide;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylacetamide;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylformamide;[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]urea;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindol-6-amine;1-(1H-imidazol-5-ylmethyl)-6-methylsulfonyl-2,3-dihydroindole;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamate;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate
CID 159361739
6-[2-(dimethylamino)ethylamino]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;methane;7-(3-methylidene-6-piperazin-1-yl-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;6-[(3S)-3-methylpyrrolidin-1-yl]-2-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;molecular hydrogen
CID 161609902

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfonyl-2,3-dihydroindole;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamate;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate?
The IUPAC name of 1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfonyl-2,3-dihydroindole;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamate;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate (CID 160801424) is 1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfonyl-2,3-dihydroindole;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamate;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate.
What is the SMILES notation for 1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfonyl-2,3-dihydroindole;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamate;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate?
The canonical SMILES for 1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfonyl-2,3-dihydroindole;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamate;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate is COC(=O)N(C)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.COC(=O)Nc1ccc2c(c1)N(Cc1cnc[nH]1)CC2.CS(=O)(=O)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.CS(=O)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.CSc1ccc2c(c1)N(Cc1cnc[nH]1)CC2.NC(=O)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.
What is the InChIKey of 1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfonyl-2,3-dihydroindole;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamate;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate?
The InChIKey is SDCSXJSZKFCXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2.C14H16N4O2.C13H14N4O.C13H15N3O2S.C13H15N3OS.C13H15N3S/c1-18(15(20)21-2)13-4-3-11-5-6-19(14(11)7-13)9-12-8-16-10-17-12;1-20-14(19)17-11-3-2-10-4-5-18(13(10)6-11)8-12-7-15-9-16-12;14-13(18)10-2-1-9-3-4-17(12(9)5-10)7-11-6-15-8-16-11;1-19(17,18)12-3-2-10-4-5-16(13(10)6-12)8-11-7-14-9-15-11;1-18(17)12-3-2-10-4-5-16(13(10)6-12)8-11-7-14-9-15-11;1-17-12-3-2-10-4-5-16(13(10)6-12)8-11-7-14-9-15-11/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,16,17);2-3,6-7,9H,4-5,8H2,1H3,(H,15,16)(H,17,19);1-2,5-6,8H,3-4,7H2,(H2,14,18)(H,15,16);2-3,6-7,9H,4-5,8H2,1H3,(H,14,15);2-3,6-7,9H,4-5,8H2,1H3,(H,14,15);2-3,6-7,9H,4-5,8H2,1H3,(H,14,15).
What are the key properties of 1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfonyl-2,3-dihydroindole;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamate;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate?
1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfonyl-2,3-dihydroindole;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamate;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate has a molecular weight of 1584.97 g/mol, XLogP of 11.18, 18 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboxamide;1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfinyl-2,3-dihydroindole;1-(1H-imidazol-5-ylmethyl)-6-methylsulfonyl-2,3-dihydroindole;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamate;methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate is sourced from PubChem (CID 160801424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).