1-[(4-aminocyclohexyl)methyl]-3-(pyridin-3-ylmethyl)benzimidazol-2-one

C20H24N4O — CID 146172580

IUPAC1-[(4-aminocyclohexyl)methyl]-3-(pyridin-3-ylmethyl)benzimidazol-2-one
SMILESNC1CCC(Cn2c(=O)n(Cc3cccnc3)c3ccccc32)CC1
InChIInChI=1S/C20H24N4O/c21-17-9-7-15(8-10-17)13-23-18-5-1-2-6-19(18)24(20(23)25)14-16-4-3-11-22-12-16/h1-6,11-12,15,17H,7-10,13-14,21H2
InChIKeyAJHQEFYHGVAEBK-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.76
Rot. Bonds4

About 1-[(4-aminocyclohexyl)methyl]-3-(pyridin-3-ylmethyl)benzimidazol-2-one

1-[(4-aminocyclohexyl)methyl]-3-(pyridin-3-ylmethyl)benzimidazol-2-one (PubChem CID 146172580) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[(4-aminocyclohexyl)methyl]-3-(pyridin-3-ylmethyl)benzimidazol-2-one.

Molecular Properties

Compound Name1-[(4-aminocyclohexyl)methyl]-3-(pyridin-3-ylmethyl)benzimidazol-2-one
PubChem CID146172580
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-[(4-aminocyclohexyl)methyl]-3-(pyridin-3-ylmethyl)benzimidazol-2-one
SMILESNC1CCC(Cn2c(=O)n(Cc3cccnc3)c3ccccc32)CC1
InChIInChI=1S/C20H24N4O/c21-17-9-7-15(8-10-17)13-23-18-5-1-2-6-19(18)24(20(23)25)14-16-4-3-11-22-12-16/h1-6,11-12,15,17H,7-10,13-14,21H2
InChIKeyAJHQEFYHGVAEBK-UHFFFAOYSA-N
XLogP2.76
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61233276
4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 54928175
6-chloro-1,3-bis(pyridin-3-ylmethyl)pyrimidine-2,4-dione
CID 170005837
1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-(pyridin-4-ylmethyl)benzimidazol-2-one
CID 15908030
2-cyclopropyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine
CID 62506035
3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944822
9-(pyridin-3-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712920
5-methyl-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 132597790
1-benzyl-3-ethylbenzimidazol-2-one
CID 22558159
9-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131657343
7-(cyclobutylmethyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97472901
2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide
CID 150776765

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminocyclohexyl)methyl]-3-(pyridin-3-ylmethyl)benzimidazol-2-one?
The IUPAC name of 1-[(4-aminocyclohexyl)methyl]-3-(pyridin-3-ylmethyl)benzimidazol-2-one (CID 146172580) is 1-[(4-aminocyclohexyl)methyl]-3-(pyridin-3-ylmethyl)benzimidazol-2-one.
What is the SMILES notation for 1-[(4-aminocyclohexyl)methyl]-3-(pyridin-3-ylmethyl)benzimidazol-2-one?
The canonical SMILES for 1-[(4-aminocyclohexyl)methyl]-3-(pyridin-3-ylmethyl)benzimidazol-2-one is NC1CCC(Cn2c(=O)n(Cc3cccnc3)c3ccccc32)CC1.
What is the InChIKey of 1-[(4-aminocyclohexyl)methyl]-3-(pyridin-3-ylmethyl)benzimidazol-2-one?
The InChIKey is AJHQEFYHGVAEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c21-17-9-7-15(8-10-17)13-23-18-5-1-2-6-19(18)24(20(23)25)14-16-4-3-11-22-12-16/h1-6,11-12,15,17H,7-10,13-14,21H2.
What are the key properties of 1-[(4-aminocyclohexyl)methyl]-3-(pyridin-3-ylmethyl)benzimidazol-2-one?
1-[(4-aminocyclohexyl)methyl]-3-(pyridin-3-ylmethyl)benzimidazol-2-one has a molecular weight of 336.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminocyclohexyl)methyl]-3-(pyridin-3-ylmethyl)benzimidazol-2-one is sourced from PubChem (CID 146172580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).