3-(4-aminocyclohexyl)-6-chloro-1H-benzimidazol-2-one;hydrochloride

C13H17Cl2N3O — CID 118292535

IUPAC3-(4-aminocyclohexyl)-6-chloro-1H-benzimidazol-2-one;hydrochloride
SMILESCl.NC1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1
InChIInChI=1S/C13H16ClN3O.ClH/c14-8-1-6-12-11(7-8)16-13(18)17(12)10-4-2-9(15)3-5-10;/h1,6-7,9-10H,2-5,15H2,(H,16,18);1H
InChIKeyXGESKRIBUFSCPW-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.85
Rot. Bonds1

About 3-(4-aminocyclohexyl)-6-chloro-1H-benzimidazol-2-one;hydrochloride

3-(4-aminocyclohexyl)-6-chloro-1H-benzimidazol-2-one;hydrochloride (PubChem CID 118292535) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is 3-(4-aminocyclohexyl)-6-chloro-1H-benzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name3-(4-aminocyclohexyl)-6-chloro-1H-benzimidazol-2-one;hydrochloride
PubChem CID118292535
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC Name3-(4-aminocyclohexyl)-6-chloro-1H-benzimidazol-2-one;hydrochloride
SMILESCl.NC1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1
InChIInChI=1S/C13H16ClN3O.ClH/c14-8-1-6-12-11(7-8)16-13(18)17(12)10-4-2-9(15)3-5-10;/h1,6-7,9-10H,2-5,15H2,(H,16,18);1H
InChIKeyXGESKRIBUFSCPW-UHFFFAOYSA-N
XLogP2.85
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 70537571
3-(4-aminocyclohexyl)-1H-benzimidazol-2-one
CID 23092402
6-chloro-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117207162
6-chloro-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
CID 172967762
6-chloro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazol-2-one
CID 172968606
6-chloro-3-[1-(furan-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968093
6-chloro-3-[1-(2-phenylacetyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968181
3-cyclopropyl-6-(hydroxymethyl)-1H-benzimidazol-2-one
CID 84672284
3-cyclopropyl-6-ethyl-1H-benzimidazol-2-one
CID 67559926
6-chloro-3-[1-(4-methylpentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968198
1,3-bis[3-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]benzimidazol-2-one
CID 71314715
3-cyclopropyl-5,6-difluoro-1H-benzimidazol-2-one
CID 66693552

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminocyclohexyl)-6-chloro-1H-benzimidazol-2-one;hydrochloride?
The IUPAC name of 3-(4-aminocyclohexyl)-6-chloro-1H-benzimidazol-2-one;hydrochloride (CID 118292535) is 3-(4-aminocyclohexyl)-6-chloro-1H-benzimidazol-2-one;hydrochloride.
What is the SMILES notation for 3-(4-aminocyclohexyl)-6-chloro-1H-benzimidazol-2-one;hydrochloride?
The canonical SMILES for 3-(4-aminocyclohexyl)-6-chloro-1H-benzimidazol-2-one;hydrochloride is Cl.NC1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1.
What is the InChIKey of 3-(4-aminocyclohexyl)-6-chloro-1H-benzimidazol-2-one;hydrochloride?
The InChIKey is XGESKRIBUFSCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O.ClH/c14-8-1-6-12-11(7-8)16-13(18)17(12)10-4-2-9(15)3-5-10;/h1,6-7,9-10H,2-5,15H2,(H,16,18);1H.
What are the key properties of 3-(4-aminocyclohexyl)-6-chloro-1H-benzimidazol-2-one;hydrochloride?
3-(4-aminocyclohexyl)-6-chloro-1H-benzimidazol-2-one;hydrochloride has a molecular weight of 302.20 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminocyclohexyl)-6-chloro-1H-benzimidazol-2-one;hydrochloride is sourced from PubChem (CID 118292535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).