6-chloro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride

C23H35Cl2N3O2 — CID 66740411

IUPAC6-chloro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
SMILESCCCOC1CCC(C)(N2CCC(n3c(=O)[nH]c4cc(Cl)c(C)cc43)CC2)CC1.Cl
InChIInChI=1S/C23H34ClN3O2.ClH/c1-4-13-29-18-5-9-23(3,10-6-18)26-11-7-17(8-12-26)27-21-14-16(2)19(24)15-20(21)25-22(27)28;/h14-15,17-18H,4-13H2,1-3H3,(H,25,28);1H
InChIKeyXURPANCHXDTAQV-UHFFFAOYSA-N
MW456.46 g/mol
LogP5.48
Rot. Bonds5

About 6-chloro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride

6-chloro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride (PubChem CID 66740411) has the molecular formula C23H35Cl2N3O2 and a molecular weight of 456.46 g/mol. Its IUPAC name is 6-chloro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name6-chloro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
PubChem CID66740411
Molecular FormulaC23H35Cl2N3O2
Molecular Weight456.46 g/mol
Exact Mass455.21
IUPAC Name6-chloro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
SMILESCCCOC1CCC(C)(N2CCC(n3c(=O)[nH]c4cc(Cl)c(C)cc43)CC2)CC1.Cl
InChIInChI=1S/C23H34ClN3O2.ClH/c1-4-13-29-18-5-9-23(3,10-6-18)26-11-7-17(8-12-26)27-21-14-16(2)19(24)15-20(21)25-22(27)28;/h14-15,17-18H,4-13H2,1-3H3,(H,25,28);1H
InChIKeyXURPANCHXDTAQV-UHFFFAOYSA-N
XLogP5.48
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.46
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride?
The IUPAC name of 6-chloro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride (CID 66740411) is 6-chloro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride.
What is the SMILES notation for 6-chloro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride?
The canonical SMILES for 6-chloro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride is CCCOC1CCC(C)(N2CCC(n3c(=O)[nH]c4cc(Cl)c(C)cc43)CC2)CC1.Cl.
What is the InChIKey of 6-chloro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride?
The InChIKey is XURPANCHXDTAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34ClN3O2.ClH/c1-4-13-29-18-5-9-23(3,10-6-18)26-11-7-17(8-12-26)27-21-14-16(2)19(24)15-20(21)25-22(27)28;/h14-15,17-18H,4-13H2,1-3H3,(H,25,28);1H.
What are the key properties of 6-chloro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride?
6-chloro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride has a molecular weight of 456.46 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride is sourced from PubChem (CID 66740411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).