1-(4-hydroxycyclohexyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-3H-benzimidazole-5-carboxamide

C20H28N4O3 — CID 70780487

IUPAC1-(4-hydroxycyclohexyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCN1CCCC1)c1ccc2c(c1)[nH]c(=O)n2C1CCC(O)CC1
InChIInChI=1S/C20H28N4O3/c25-16-6-4-15(5-7-16)24-18-8-3-14(13-17(18)22-20(24)27)19(26)21-9-12-23-10-1-2-11-23/h3,8,13,15-16,25H,1-2,4-7,9-12H2,(H,21,26)(H,22,27)
InChIKeyXTCFCTKDAGGWAF-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.63
Rot. Bonds5

About 1-(4-hydroxycyclohexyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-3H-benzimidazole-5-carboxamide

1-(4-hydroxycyclohexyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 70780487) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-3H-benzimidazole-5-carboxamide
PubChem CID70780487
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name1-(4-hydroxycyclohexyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCN1CCCC1)c1ccc2c(c1)[nH]c(=O)n2C1CCC(O)CC1
InChIInChI=1S/C20H28N4O3/c25-16-6-4-15(5-7-16)24-18-8-3-14(13-17(18)22-20(24)27)19(26)21-9-12-23-10-1-2-11-23/h3,8,13,15-16,25H,1-2,4-7,9-12H2,(H,21,26)(H,22,27)
InChIKeyXTCFCTKDAGGWAF-UHFFFAOYSA-N
XLogP1.63
TPSA90.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-hydroxycyclohexyl)-N-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 70771286
1-cyclopentyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 119448652
4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 44573689
1-cyclopentyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-carboxamide
CID 119394046
4-chloro-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 53470220
3,4-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 25105699
1-(4-hydroxycyclohexyl)-2-oxo-N-(3-pyridin-2-ylpropyl)-3H-benzimidazole-5-carboxamide
CID 119060915
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 70728301
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
2-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 21428921
3-fluoro-4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid
CID 53300658

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-(4-hydroxycyclohexyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-3H-benzimidazole-5-carboxamide (CID 70780487) is 1-(4-hydroxycyclohexyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-3H-benzimidazole-5-carboxamide is O=C(NCCN1CCCC1)c1ccc2c(c1)[nH]c(=O)n2C1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is XTCFCTKDAGGWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c25-16-6-4-15(5-7-16)24-18-8-3-14(13-17(18)22-20(24)27)19(26)21-9-12-23-10-1-2-11-23/h3,8,13,15-16,25H,1-2,4-7,9-12H2,(H,21,26)(H,22,27).
What are the key properties of 1-(4-hydroxycyclohexyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-3H-benzimidazole-5-carboxamide?
1-(4-hydroxycyclohexyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.63, 5 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-(2-pyrrolidin-1-ylethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 70780487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).