3-(4-aminocyclohexyl)-1H-benzimidazol-2-one

C13H17N3O — CID 23092402

IUPAC3-(4-aminocyclohexyl)-1H-benzimidazol-2-one
SMILESNC1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C13H17N3O/c14-9-5-7-10(8-6-9)16-12-4-2-1-3-11(12)15-13(16)17/h1-4,9-10H,5-8,14H2,(H,15,17)
InChIKeyJKSKZGHSSMWPFF-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.77
Rot. Bonds1

About 3-(4-aminocyclohexyl)-1H-benzimidazol-2-one

3-(4-aminocyclohexyl)-1H-benzimidazol-2-one (PubChem CID 23092402) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(4-aminocyclohexyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(4-aminocyclohexyl)-1H-benzimidazol-2-one
PubChem CID23092402
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-(4-aminocyclohexyl)-1H-benzimidazol-2-one
SMILESNC1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C13H17N3O/c14-9-5-7-10(8-6-9)16-12-4-2-1-3-11(12)15-13(16)17/h1-4,9-10H,5-8,14H2,(H,15,17)
InChIKeyJKSKZGHSSMWPFF-UHFFFAOYSA-N
XLogP1.77
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
CID 70115038
3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 139765668
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-(4-aminocyclohexyl)-6-chloro-1H-benzimidazol-2-one;hydrochloride
CID 118292535
3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968221
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370
4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde
CID 21471554
3-[1-[[3-(aminomethyl)cyclohexyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968406
4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 55434574
3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755
3-(4-methylcyclohex-3-en-1-yl)-1H-benzimidazol-2-one
CID 143122601
3-[1-[4-(pyrimidin-5-ylamino)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 21471560

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminocyclohexyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(4-aminocyclohexyl)-1H-benzimidazol-2-one (CID 23092402) is 3-(4-aminocyclohexyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(4-aminocyclohexyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(4-aminocyclohexyl)-1H-benzimidazol-2-one is NC1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-(4-aminocyclohexyl)-1H-benzimidazol-2-one?
The InChIKey is JKSKZGHSSMWPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-9-5-7-10(8-6-9)16-12-4-2-1-3-11(12)15-13(16)17/h1-4,9-10H,5-8,14H2,(H,15,17).
What are the key properties of 3-(4-aminocyclohexyl)-1H-benzimidazol-2-one?
3-(4-aminocyclohexyl)-1H-benzimidazol-2-one has a molecular weight of 231.30 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminocyclohexyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 23092402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).