3-chloro-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-indole-2-carboxamide

C18H15ClN4O2 — CID 52520664

IUPAC3-chloro-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C18H15ClN4O2/c1-9(10-6-7-13-14(8-10)23-18(25)22-13)20-17(24)16-15(19)11-4-2-3-5-12(11)21-16/h2-9,21H,1H3,(H,20,24)(H2,22,23,25)/t9-/m1/s1
InChIKeyKXYSNQSPUYXDQB-SECBINFHSA-N
MW354.80 g/mol
LogP3.48
Rot. Bonds3

About 3-chloro-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-indole-2-carboxamide

3-chloro-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 52520664) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 3-chloro-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID52520664
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name3-chloro-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C18H15ClN4O2/c1-9(10-6-7-13-14(8-10)23-18(25)22-13)20-17(24)16-15(19)11-4-2-3-5-12(11)21-16/h2-9,21H,1H3,(H,20,24)(H2,22,23,25)/t9-/m1/s1
InChIKeyKXYSNQSPUYXDQB-SECBINFHSA-N
XLogP3.48
TPSA93.54 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-pyridine-3-carboxamide
CID 94147869
5-chloro-2-iodo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 55972322
3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-indole-2-carboxamide
CID 55971333
N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 63047659
2-bromo-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
CID 114327723
2-(azetidin-3-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
CID 116675039
1-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 60867027
4-[(dimethylamino)methyl]-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 95289715
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
2-(3-chlorophenyl)-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 55736571
(2Z,4E)-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]hexa-2,4-dienamide
CID 94195434
N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 51123477

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-chloro-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-indole-2-carboxamide (CID 52520664) is 3-chloro-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-indole-2-carboxamide is C[C@@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 3-chloro-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is KXYSNQSPUYXDQB-SECBINFHSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-9(10-6-7-13-14(8-10)23-18(25)22-13)20-17(24)16-15(19)11-4-2-3-5-12(11)21-16/h2-9,21H,1H3,(H,20,24)(H2,22,23,25)/t9-/m1/s1.
What are the key properties of 3-chloro-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-indole-2-carboxamide?
3-chloro-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 354.80 g/mol, XLogP of 3.48, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 52520664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).