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

C22H24N4O2 — CID 59468855

IUPACN-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-phenylmethoxyacetamide
SMILESCN(C(=O)COCc1ccccc1)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C22H24N4O2/c1-25(22(27)15-28-14-17-5-3-2-4-6-17)20-8-7-18-9-10-26(21(18)11-20)13-19-12-23-16-24-19/h2-8,11-12,16H,9-10,13-15H2,1H3,(H,23,24)
InChIKeyXDMQPRULCGSGEW-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.15
Rot. Bonds7

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

N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-phenylmethoxyacetamide (PubChem CID 59468855) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-phenylmethoxyacetamide
PubChem CID59468855
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-phenylmethoxyacetamide
SMILESCN(C(=O)COCc1ccccc1)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C22H24N4O2/c1-25(22(27)15-28-14-17-5-3-2-4-6-17)20-8-7-18-9-10-26(21(18)11-20)13-19-12-23-16-24-19/h2-8,11-12,16H,9-10,13-15H2,1H3,(H,23,24)
InChIKeyXDMQPRULCGSGEW-UHFFFAOYSA-N
XLogP3.15
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate
CID 59468824
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
N-[2-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]phenyl]methanesulfonamide
CID 59435406
1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-yl]-1,3-dimethylurea
CID 23729197

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-phenylmethoxyacetamide?
The IUPAC name of N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-phenylmethoxyacetamide (CID 59468855) is N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-phenylmethoxyacetamide?
The canonical SMILES for N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-phenylmethoxyacetamide is CN(C(=O)COCc1ccccc1)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.
What is the InChIKey of N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-phenylmethoxyacetamide?
The InChIKey is XDMQPRULCGSGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-25(22(27)15-28-14-17-5-3-2-4-6-17)20-8-7-18-9-10-26(21(18)11-20)13-19-12-23-16-24-19/h2-8,11-12,16H,9-10,13-15H2,1H3,(H,23,24).
What are the key properties of N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-phenylmethoxyacetamide?
N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-phenylmethoxyacetamide has a molecular weight of 376.46 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-phenylmethoxyacetamide is sourced from PubChem (CID 59468855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).