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

C15H22ClN3O — CID 6472338

IUPAC5-[(cyclopentylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
SMILESCl.Cn1c(=O)n(C)c2cc(CNC3CCCC3)ccc21
InChIInChI=1S/C15H21N3O.ClH/c1-17-13-8-7-11(9-14(13)18(2)15(17)19)10-16-12-5-3-4-6-12;/h7-9,12,16H,3-6,10H2,1-2H3;1H
InChIKeyOPOJDGRPVIUNAF-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.33
Rot. Bonds3

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

5-[(cyclopentylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride (PubChem CID 6472338) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 5-[(cyclopentylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name5-[(cyclopentylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
PubChem CID6472338
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name5-[(cyclopentylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
SMILESCl.Cn1c(=O)n(C)c2cc(CNC3CCCC3)ccc21
InChIInChI=1S/C15H21N3O.ClH/c1-17-13-8-7-11(9-14(13)18(2)15(17)19)10-16-12-5-3-4-6-12;/h7-9,12,16H,3-6,10H2,1-2H3;1H
InChIKeyOPOJDGRPVIUNAF-UHFFFAOYSA-N
XLogP2.33
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(cycloheptylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 6471863
5-[[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 132912487
5-[2-[4-[(cyclooctylamino)methyl]phenoxy]-1-hydroxyethyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 17123401
5-[2-[4-[(cyclohexylamino)methyl]phenoxy]-1-hydroxyethyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 17123375
5-[(1R)-2-[4-[(cyclooctylamino)methyl]phenoxy]-1-hydroxyethyl]-1,3-dimethylbenzimidazol-2-one
CID 27089324
5-[(1S)-2-[4-[(cyclohexylamino)methyl]phenoxy]-1-hydroxyethyl]-1,3-dimethylbenzimidazol-2-one
CID 27089318
5-[3-(cyclopropylamino)propyl]-1,3-dimethylbenzimidazol-2-one
CID 96677412
5-[(tert-butylamino)methyl]-1,3-dimethylbenzimidazol-2-one
CID 6472192
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide
CID 110785342
(2R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-1-methylazepane-2-carboxamide
CID 97113385
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutanamine
CID 82495021
N-[(9-ethylcarbazol-3-yl)methyl]cyclopentanamine;hydrochloride
CID 17331028

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopentylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride?
The IUPAC name of 5-[(cyclopentylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride (CID 6472338) is 5-[(cyclopentylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride.
What is the SMILES notation for 5-[(cyclopentylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride?
The canonical SMILES for 5-[(cyclopentylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride is Cl.Cn1c(=O)n(C)c2cc(CNC3CCCC3)ccc21.
What is the InChIKey of 5-[(cyclopentylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride?
The InChIKey is OPOJDGRPVIUNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O.ClH/c1-17-13-8-7-11(9-14(13)18(2)15(17)19)10-16-12-5-3-4-6-12;/h7-9,12,16H,3-6,10H2,1-2H3;1H.
What are the key properties of 5-[(cyclopentylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride?
5-[(cyclopentylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride has a molecular weight of 295.81 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopentylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride is sourced from PubChem (CID 6472338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).