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

C17H26ClN3O — CID 6471863

IUPAC5-[(cycloheptylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
SMILESCl.Cn1c(=O)n(C)c2cc(CNC3CCCCCC3)ccc21
InChIInChI=1S/C17H25N3O.ClH/c1-19-15-10-9-13(11-16(15)20(2)17(19)21)12-18-14-7-5-3-4-6-8-14;/h9-11,14,18H,3-8,12H2,1-2H3;1H
InChIKeyYRZIWSDRSLBWQW-UHFFFAOYSA-N
MW323.87 g/mol
LogP3.11
Rot. Bonds3

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

5-[(cycloheptylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride (PubChem CID 6471863) has the molecular formula C17H26ClN3O and a molecular weight of 323.87 g/mol. Its IUPAC name is 5-[(cycloheptylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name5-[(cycloheptylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
PubChem CID6471863
Molecular FormulaC17H26ClN3O
Molecular Weight323.87 g/mol
Exact Mass323.18
IUPAC Name5-[(cycloheptylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
SMILESCl.Cn1c(=O)n(C)c2cc(CNC3CCCCCC3)ccc21
InChIInChI=1S/C17H25N3O.ClH/c1-19-15-10-9-13(11-16(15)20(2)17(19)21)12-18-14-7-5-3-4-6-8-14;/h9-11,14,18H,3-8,12H2,1-2H3;1H
InChIKeyYRZIWSDRSLBWQW-UHFFFAOYSA-N
XLogP3.11
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(cyclopentylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 6472338
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-[(1S)-2-[4-[(cyclohexylamino)methyl]phenoxy]-1-hydroxyethyl]-1,3-dimethylbenzimidazol-2-one
CID 27089318
5-[(1R)-2-[4-[(cyclooctylamino)methyl]phenoxy]-1-hydroxyethyl]-1,3-dimethylbenzimidazol-2-one
CID 27089324
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide
CID 110785342
5-[3-(cyclopropylamino)propyl]-1,3-dimethylbenzimidazol-2-one
CID 96677412
5-[(tert-butylamino)methyl]-1,3-dimethylbenzimidazol-2-one
CID 6472192
(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-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride
CID 17331622

Frequently Asked Questions

What is the IUPAC name of 5-[(cycloheptylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride?
The IUPAC name of 5-[(cycloheptylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride (CID 6471863) is 5-[(cycloheptylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride.
What is the SMILES notation for 5-[(cycloheptylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride?
The canonical SMILES for 5-[(cycloheptylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride is Cl.Cn1c(=O)n(C)c2cc(CNC3CCCCCC3)ccc21.
What is the InChIKey of 5-[(cycloheptylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride?
The InChIKey is YRZIWSDRSLBWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.ClH/c1-19-15-10-9-13(11-16(15)20(2)17(19)21)12-18-14-7-5-3-4-6-8-14;/h9-11,14,18H,3-8,12H2,1-2H3;1H.
What are the key properties of 5-[(cycloheptylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride?
5-[(cycloheptylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride has a molecular weight of 323.87 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cycloheptylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride is sourced from PubChem (CID 6471863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).