5-[[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride

C23H30ClN3O3 — CID 132912487

IUPAC5-[[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
SMILESCOc1cc(CNC2CCCC2)ccc1OCc1ccc2c(c1)n(C)c(=O)n2C.Cl
InChIInChI=1S/C23H29N3O3.ClH/c1-25-19-10-8-17(12-20(19)26(2)23(25)27)15-29-21-11-9-16(13-22(21)28-3)14-24-18-6-4-5-7-18;/h8-13,18,24H,4-7,14-15H2,1-3H3;1H
InChIKeyHEDCYSMXQSQTKP-UHFFFAOYSA-N
MW431.96 g/mol
LogP3.92
Rot. Bonds7

About 5-[[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride

5-[[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride (PubChem CID 132912487) has the molecular formula C23H30ClN3O3 and a molecular weight of 431.96 g/mol. Its IUPAC name is 5-[[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name5-[[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
PubChem CID132912487
Molecular FormulaC23H30ClN3O3
Molecular Weight431.96 g/mol
Exact Mass431.20
IUPAC Name5-[[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
SMILESCOc1cc(CNC2CCCC2)ccc1OCc1ccc2c(c1)n(C)c(=O)n2C.Cl
InChIInChI=1S/C23H29N3O3.ClH/c1-25-19-10-8-17(12-20(19)26(2)23(25)27)15-29-21-11-9-16(13-22(21)28-3)14-24-18-6-4-5-7-18;/h8-13,18,24H,4-7,14-15H2,1-3H3;1H
InChIKeyHEDCYSMXQSQTKP-UHFFFAOYSA-N
XLogP3.92
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.96
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-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

Related Compounds

5-[(cyclopentylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 6472338
5-[(cycloheptylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 6471863
5-[[4-[(1-adamantylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 17123342
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine
CID 4719319
5-[[2-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 17151617
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclohexanamine
CID 4722533
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294378
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 17293728
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17294388
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43275383
N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 61344979
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17294662

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride?
The IUPAC name of 5-[[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride (CID 132912487) is 5-[[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride.
What is the SMILES notation for 5-[[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride?
The canonical SMILES for 5-[[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride is COc1cc(CNC2CCCC2)ccc1OCc1ccc2c(c1)n(C)c(=O)n2C.Cl.
What is the InChIKey of 5-[[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride?
The InChIKey is HEDCYSMXQSQTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3.ClH/c1-25-19-10-8-17(12-20(19)26(2)23(25)27)15-29-21-11-9-16(13-22(21)28-3)14-24-18-6-4-5-7-18;/h8-13,18,24H,4-7,14-15H2,1-3H3;1H.
What are the key properties of 5-[[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride?
5-[[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride has a molecular weight of 431.96 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride is sourced from PubChem (CID 132912487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).