N-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-indole-2-carboxamide

C16H14N4O — CID 76999436

IUPACN-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)C1Cc2ccccc2N1
InChIInChI=1S/C16H14N4O/c21-15(14-9-10-5-1-2-6-11(10)17-14)20-16-18-12-7-3-4-8-13(12)19-16/h1-8,14,17H,9H2,(H2,18,19,20,21)
InChIKeyNCMBVTQVTLDFHY-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.54
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-indole-2-carboxamide

N-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 76999436) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID76999436
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)C1Cc2ccccc2N1
InChIInChI=1S/C16H14N4O/c21-15(14-9-10-5-1-2-6-11(10)17-14)20-16-18-12-7-3-4-8-13(12)19-16/h1-8,14,17H,9H2,(H2,18,19,20,21)
InChIKeyNCMBVTQVTLDFHY-UHFFFAOYSA-N
XLogP2.54
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(1H-benzimidazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261485
N-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79140104
N-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide
CID 112528043
(2S)-N-(2,3-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148394
(2S)-N-pyrimidin-5-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 107588543
N-(6-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 166772337
N-(1H-benzimidazol-2-yl)-1,1-dioxothiolane-3-carboxamide
CID 18089285
(3R)-N-(1H-benzimidazol-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 40633944
N-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 47154418
N-(1H-benzimidazol-2-yl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955198
N-(1H-benzimidazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 47044809
(2S)-N-(2,6-difluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148995

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-indole-2-carboxamide (CID 76999436) is N-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-indole-2-carboxamide is O=C(Nc1nc2ccccc2[nH]1)C1Cc2ccccc2N1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is NCMBVTQVTLDFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c21-15(14-9-10-5-1-2-6-11(10)17-14)20-16-18-12-7-3-4-8-13(12)19-16/h1-8,14,17H,9H2,(H2,18,19,20,21).
What are the key properties of N-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-indole-2-carboxamide?
N-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 76999436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).