1-(4-hydroxycyclohexyl)-2-oxo-N-(3-pyridin-2-ylpropyl)-3H-benzimidazole-5-carboxamide

C22H26N4O3 — CID 119060915

IUPAC1-(4-hydroxycyclohexyl)-2-oxo-N-(3-pyridin-2-ylpropyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCCc1ccccn1)c1ccc2c(c1)[nH]c(=O)n2C1CCC(O)CC1
InChIInChI=1S/C22H26N4O3/c27-18-9-7-17(8-10-18)26-20-11-6-15(14-19(20)25-22(26)29)21(28)24-13-3-5-16-4-1-2-12-23-16/h1-2,4,6,11-12,14,17-18,27H,3,5,7-10,13H2,(H,24,28)(H,25,29)
InChIKeyOBWXVRSVUKRRGH-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.56
Rot. Bonds6

About 1-(4-hydroxycyclohexyl)-2-oxo-N-(3-pyridin-2-ylpropyl)-3H-benzimidazole-5-carboxamide

1-(4-hydroxycyclohexyl)-2-oxo-N-(3-pyridin-2-ylpropyl)-3H-benzimidazole-5-carboxamide (PubChem CID 119060915) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-2-oxo-N-(3-pyridin-2-ylpropyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-2-oxo-N-(3-pyridin-2-ylpropyl)-3H-benzimidazole-5-carboxamide
PubChem CID119060915
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-(4-hydroxycyclohexyl)-2-oxo-N-(3-pyridin-2-ylpropyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCCc1ccccn1)c1ccc2c(c1)[nH]c(=O)n2C1CCC(O)CC1
InChIInChI=1S/C22H26N4O3/c27-18-9-7-17(8-10-18)26-20-11-6-15(14-19(20)25-22(26)29)21(28)24-13-3-5-16-4-1-2-12-23-16/h1-2,4,6,11-12,14,17-18,27H,3,5,7-10,13H2,(H,24,28)(H,25,29)
InChIKeyOBWXVRSVUKRRGH-UHFFFAOYSA-N
XLogP2.56
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 70728301
1-(4-hydroxycyclohexyl)-N-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 70771286
1-cyclopentyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-carboxamide
CID 119394046
3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide
CID 110660973
N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232123
1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 71170291
1-cyclopentyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 119448652
3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
CID 70115038
4-bromo-3-hydroxy-N-(3-pyridin-2-ylpropyl)benzamide
CID 86781630
N-(2-pyridin-2-ylethyl)-1H-indole-6-carboxamide
CID 22139228
5-chloro-6-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide
CID 77088849
2,4-dioxo-3-phenyl-N-(2-pyridin-2-ylethyl)-1H-quinazoline-7-carboxamide
CID 24540652

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-2-oxo-N-(3-pyridin-2-ylpropyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-(4-hydroxycyclohexyl)-2-oxo-N-(3-pyridin-2-ylpropyl)-3H-benzimidazole-5-carboxamide (CID 119060915) is 1-(4-hydroxycyclohexyl)-2-oxo-N-(3-pyridin-2-ylpropyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-2-oxo-N-(3-pyridin-2-ylpropyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-2-oxo-N-(3-pyridin-2-ylpropyl)-3H-benzimidazole-5-carboxamide is O=C(NCCCc1ccccn1)c1ccc2c(c1)[nH]c(=O)n2C1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-2-oxo-N-(3-pyridin-2-ylpropyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is OBWXVRSVUKRRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c27-18-9-7-17(8-10-18)26-20-11-6-15(14-19(20)25-22(26)29)21(28)24-13-3-5-16-4-1-2-12-23-16/h1-2,4,6,11-12,14,17-18,27H,3,5,7-10,13H2,(H,24,28)(H,25,29).
What are the key properties of 1-(4-hydroxycyclohexyl)-2-oxo-N-(3-pyridin-2-ylpropyl)-3H-benzimidazole-5-carboxamide?
1-(4-hydroxycyclohexyl)-2-oxo-N-(3-pyridin-2-ylpropyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-2-oxo-N-(3-pyridin-2-ylpropyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 119060915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).