1-cyclohexyl-3-(cyclopropylmethyl)-N-(2-hydroxyethyl)-2-oxobenzimidazole-5-carboxamide

C20H27N3O3 — CID 70773055

IUPAC1-cyclohexyl-3-(cyclopropylmethyl)-N-(2-hydroxyethyl)-2-oxobenzimidazole-5-carboxamide
SMILESO=C(NCCO)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1
InChIInChI=1S/C20H27N3O3/c24-11-10-21-19(25)15-8-9-17-18(12-15)22(13-14-6-7-14)20(26)23(17)16-4-2-1-3-5-16/h8-9,12,14,16,24H,1-7,10-11,13H2,(H,21,25)
InChIKeyNJSONGZMEJDFGY-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.44
Rot. Bonds6

About 1-cyclohexyl-3-(cyclopropylmethyl)-N-(2-hydroxyethyl)-2-oxobenzimidazole-5-carboxamide

1-cyclohexyl-3-(cyclopropylmethyl)-N-(2-hydroxyethyl)-2-oxobenzimidazole-5-carboxamide (PubChem CID 70773055) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-(cyclopropylmethyl)-N-(2-hydroxyethyl)-2-oxobenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-3-(cyclopropylmethyl)-N-(2-hydroxyethyl)-2-oxobenzimidazole-5-carboxamide
PubChem CID70773055
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name1-cyclohexyl-3-(cyclopropylmethyl)-N-(2-hydroxyethyl)-2-oxobenzimidazole-5-carboxamide
SMILESO=C(NCCO)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1
InChIInChI=1S/C20H27N3O3/c24-11-10-21-19(25)15-8-9-17-18(12-15)22(13-14-6-7-14)20(26)23(17)16-4-2-1-3-5-16/h8-9,12,14,16,24H,1-7,10-11,13H2,(H,21,25)
InChIKeyNJSONGZMEJDFGY-UHFFFAOYSA-N
XLogP2.44
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide
CID 70783918
1-cyclohexyl-N-cyclopropyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide
CID 70761921
1-cyclohexyl-3-(cyclopropylmethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxobenzimidazole-5-carboxamide
CID 70708176
1-cyclohexyl-3-(cyclopropylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxobenzimidazole-5-carboxamide
CID 70781008
N-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-N-methyl-2-oxobenzimidazole-5-carboxamide
CID 70711167
9-cyclohexyl-N-propylcarbazole-3-carboxamide
CID 69163886
1-cyclohexyl-N-(2-hydroxyethyl)-5-methoxy-2-methylindole-3-carboxamide
CID 110878033
N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232123
1-cyclopentyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 119448652
1-cyclopentyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-carboxamide
CID 119394046
1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 71170291
N-(2-hydroxyethyl)naphthalene-2-carboxamide
CID 13288324

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(cyclopropylmethyl)-N-(2-hydroxyethyl)-2-oxobenzimidazole-5-carboxamide?
The IUPAC name of 1-cyclohexyl-3-(cyclopropylmethyl)-N-(2-hydroxyethyl)-2-oxobenzimidazole-5-carboxamide (CID 70773055) is 1-cyclohexyl-3-(cyclopropylmethyl)-N-(2-hydroxyethyl)-2-oxobenzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclohexyl-3-(cyclopropylmethyl)-N-(2-hydroxyethyl)-2-oxobenzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclohexyl-3-(cyclopropylmethyl)-N-(2-hydroxyethyl)-2-oxobenzimidazole-5-carboxamide is O=C(NCCO)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(cyclopropylmethyl)-N-(2-hydroxyethyl)-2-oxobenzimidazole-5-carboxamide?
The InChIKey is NJSONGZMEJDFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c24-11-10-21-19(25)15-8-9-17-18(12-15)22(13-14-6-7-14)20(26)23(17)16-4-2-1-3-5-16/h8-9,12,14,16,24H,1-7,10-11,13H2,(H,21,25).
What are the key properties of 1-cyclohexyl-3-(cyclopropylmethyl)-N-(2-hydroxyethyl)-2-oxobenzimidazole-5-carboxamide?
1-cyclohexyl-3-(cyclopropylmethyl)-N-(2-hydroxyethyl)-2-oxobenzimidazole-5-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(cyclopropylmethyl)-N-(2-hydroxyethyl)-2-oxobenzimidazole-5-carboxamide is sourced from PubChem (CID 70773055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).