(3R)-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide

C19H18ClN3O — CID 92746433

IUPAC(3R)-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)[C@@H]1CCn2c(nc3ccccc32)C1
InChIInChI=1S/C19H18ClN3O/c20-15-7-5-13(6-8-15)12-21-19(24)14-9-10-23-17-4-2-1-3-16(17)22-18(23)11-14/h1-8,14H,9-12H2,(H,21,24)/t14-/m1/s1
InChIKeyQVKSYLPMTLHNOT-CQSZACIVSA-N
MW339.83 g/mol
LogP3.57
Rot. Bonds3

About (3R)-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide

(3R)-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide (PubChem CID 92746433) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is (3R)-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
PubChem CID92746433
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name(3R)-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)[C@@H]1CCn2c(nc3ccccc32)C1
InChIInChI=1S/C19H18ClN3O/c20-15-7-5-13(6-8-15)12-21-19(24)14-9-10-23-17-4-2-1-3-16(17)22-18(23)11-14/h1-8,14H,9-12H2,(H,21,24)/t14-/m1/s1
InChIKeyQVKSYLPMTLHNOT-CQSZACIVSA-N
XLogP3.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
CID 92746448
(3S)-N-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
CID 92746504
N-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
CID 46320637
N-[(4-chlorophenyl)methyl]-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124782099
N-(2-methylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
CID 50777138
N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide
CID 17152448
1-[(2-chlorophenyl)methyl]-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45007673
N-[(4-chlorophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27396099
2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone
CID 110872438
(3S)-N-[(4-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 42584756
(3R)-1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 124781385
(3S)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 124799226

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide?
The IUPAC name of (3R)-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide (CID 92746433) is (3R)-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide?
The canonical SMILES for (3R)-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide is O=C(NCc1ccc(Cl)cc1)[C@@H]1CCn2c(nc3ccccc32)C1.
What is the InChIKey of (3R)-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide?
The InChIKey is QVKSYLPMTLHNOT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-15-7-5-13(6-8-15)12-21-19(24)14-9-10-23-17-4-2-1-3-16(17)22-18(23)11-14/h1-8,14H,9-12H2,(H,21,24)/t14-/m1/s1.
What are the key properties of (3R)-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide?
(3R)-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 339.83 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 92746433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).