3-chloro-N-[(1S,3R)-3-[5-(methylcarbamoyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1,2-oxazole-5-carboxamide

C24H23ClN6O3 — CID 127044723

IUPAC3-chloro-N-[(1S,3R)-3-[5-(methylcarbamoyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1,2-oxazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](NC(=O)c2cc(Cl)no2)C1
InChIInChI=1S/C24H23ClN6O3/c1-26-23(32)14-8-9-19-18(11-14)29-22(17-7-2-3-10-27-17)31(19)16-6-4-5-15(12-16)28-24(33)20-13-21(25)30-34-20/h2-3,7-11,13,15-16H,4-6,12H2,1H3,(H,26,32)(H,28,33)/t15-,16+/m0/s1
InChIKeyQVYLKYZECPHIHD-JKSUJKDBSA-N
MW478.94 g/mol
LogP4.01
Rot. Bonds5

About 3-chloro-N-[(1S,3R)-3-[5-(methylcarbamoyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1,2-oxazole-5-carboxamide

3-chloro-N-[(1S,3R)-3-[5-(methylcarbamoyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1,2-oxazole-5-carboxamide (PubChem CID 127044723) has the molecular formula C24H23ClN6O3 and a molecular weight of 478.94 g/mol. Its IUPAC name is 3-chloro-N-[(1S,3R)-3-[5-(methylcarbamoyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1S,3R)-3-[5-(methylcarbamoyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1,2-oxazole-5-carboxamide
PubChem CID127044723
Molecular FormulaC24H23ClN6O3
Molecular Weight478.94 g/mol
Exact Mass478.15
IUPAC Name3-chloro-N-[(1S,3R)-3-[5-(methylcarbamoyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1,2-oxazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](NC(=O)c2cc(Cl)no2)C1
InChIInChI=1S/C24H23ClN6O3/c1-26-23(32)14-8-9-19-18(11-14)29-22(17-7-2-3-10-27-17)31(19)16-6-4-5-15(12-16)28-24(33)20-13-21(25)30-34-20/h2-3,7-11,13,15-16H,4-6,12H2,1H3,(H,26,32)(H,28,33)/t15-,16+/m0/s1
InChIKeyQVYLKYZECPHIHD-JKSUJKDBSA-N
XLogP4.01
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.94
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide
CID 25190517
N-(1-(3-amino-3-oxopropyl)-5-(N-ethylbenzamido)-1H-benzo[d]imidazol-2-yl)isoxazole-5-carboxamide
CID 44588580
N-(5-((cyclohexyl(methyl)amino)methyl)-1-(3-methoxypropyl)-1H-benzo[d]imidazol-2-yl)isoxazole-5-carboxamide
CID 44589718
N-(1-(3-(1H-imidazol-1-yl)propyl)-5-((cyclohexyl(methyl)amino)methyl)-1H-benzo[d]imidazol-2-yl)isoxazole-5-carboxamide
CID 44589793
N-(5-((cyclohexylamino)methyl)-1-(3-methoxypropyl)-1H-benzo[d]imidazol-2-yl)isoxazole-5-carboxamide
CID 44589794
N-(1-(3-methoxypropyl)-5-((phenylamino)methyl)-1H-benzo[d]imidazol-2-yl)isoxazole-5-carboxamide
CID 44589795
US9969724, Example 32
CID 118456931
US9969724, Example 29
CID 118456946
N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-[3-(prop-2-enoylamino)phenyl]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide
CID 126737382
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(methylamino)pyridin-1-ium-1-yl]ethyl]benzimidazole-5-carboxamide formate
CID 172460253
US20250346592, Example 93
CID 170344062
US20250346592, Example 121
CID 177774368

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1S,3R)-3-[5-(methylcarbamoyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-chloro-N-[(1S,3R)-3-[5-(methylcarbamoyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1,2-oxazole-5-carboxamide (CID 127044723) is 3-chloro-N-[(1S,3R)-3-[5-(methylcarbamoyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1S,3R)-3-[5-(methylcarbamoyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-chloro-N-[(1S,3R)-3-[5-(methylcarbamoyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1,2-oxazole-5-carboxamide is CNC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](NC(=O)c2cc(Cl)no2)C1.
What is the InChIKey of 3-chloro-N-[(1S,3R)-3-[5-(methylcarbamoyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1,2-oxazole-5-carboxamide?
The InChIKey is QVYLKYZECPHIHD-JKSUJKDBSA-N. The full InChI is InChI=1S/C24H23ClN6O3/c1-26-23(32)14-8-9-19-18(11-14)29-22(17-7-2-3-10-27-17)31(19)16-6-4-5-15(12-16)28-24(33)20-13-21(25)30-34-20/h2-3,7-11,13,15-16H,4-6,12H2,1H3,(H,26,32)(H,28,33)/t15-,16+/m0/s1.
What are the key properties of 3-chloro-N-[(1S,3R)-3-[5-(methylcarbamoyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1,2-oxazole-5-carboxamide?
3-chloro-N-[(1S,3R)-3-[5-(methylcarbamoyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1,2-oxazole-5-carboxamide has a molecular weight of 478.94 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1S,3R)-3-[5-(methylcarbamoyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 127044723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).