benzyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate

C21H22N4O2 — CID 59468824

IUPACbenzyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C21H22N4O2/c1-24(21(26)27-14-16-5-3-2-4-6-16)19-8-7-17-9-10-25(20(17)11-19)13-18-12-22-15-23-18/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,22,23)
InChIKeyLUZPXWMDRVBHEZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.75
Rot. Bonds5

About benzyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate

benzyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate (PubChem CID 59468824) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is benzyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate
PubChem CID59468824
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Namebenzyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C21H22N4O2/c1-24(21(26)27-14-16-5-3-2-4-6-16)19-8-7-17-9-10-25(20(17)11-19)13-18-12-22-15-23-18/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,22,23)
InChIKeyLUZPXWMDRVBHEZ-UHFFFAOYSA-N
XLogP3.75
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-phenylmethoxyacetamide
CID 59468855
3-methoxypropyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate
CID 25173230
methyl N-ethyl-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamate
CID 59468790
(2S)-2-amino-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylhexanamide
CID 59468851
1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydroindole
CID 24951528
1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-carboxamide
CID 59468734
methyl N,N'-diethyl-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamimidate
CID 143737353
1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methylurea
CID 59468844
1-(1H-imidazol-5-ylmethyl)-6-(4-methylphenyl)-2,3-dihydroindole
CID 59435409
6-(2-fluorophenyl)-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole
CID 59435439
(4-methylsulfonylphenyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
CID 25112954
(2-methylpyrimidin-5-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
CID 59661951

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate?
The IUPAC name of benzyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate (CID 59468824) is benzyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate.
What is the SMILES notation for benzyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate?
The canonical SMILES for benzyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate is CN(C(=O)OCc1ccccc1)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.
What is the InChIKey of benzyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate?
The InChIKey is LUZPXWMDRVBHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-24(21(26)27-14-16-5-3-2-4-6-16)19-8-7-17-9-10-25(20(17)11-19)13-18-12-22-15-23-18/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,22,23).
What are the key properties of benzyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate?
benzyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate has a molecular weight of 362.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate is sourced from PubChem (CID 59468824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).