N-[(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutanamine

C14H19N3 — CID 82495021

IUPACN-[(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutanamine
SMILESCc1nc2cc(CNC3CCC3)ccc2n1C
InChIInChI=1S/C14H19N3/c1-10-16-13-8-11(6-7-14(13)17(10)2)9-15-12-4-3-5-12/h6-8,12,15H,3-5,9H2,1-2H3
InChIKeyHJSYEIYHKMNRME-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.52
Rot. Bonds3

About N-[(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutanamine

N-[(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutanamine (PubChem CID 82495021) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutanamine
PubChem CID82495021
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutanamine
SMILESCc1nc2cc(CNC3CCC3)ccc2n1C
InChIInChI=1S/C14H19N3/c1-10-16-13-8-11(6-7-14(13)17(10)2)9-15-12-4-3-5-12/h6-8,12,15H,3-5,9H2,1-2H3
InChIKeyHJSYEIYHKMNRME-UHFFFAOYSA-N
XLogP2.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethyl-2-methylbenzimidazol-5-yl)methyl]cyclobutanamine
CID 82497497
methyl 2-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2-oxoacetate
CID 115142414
5-[(cyclopentylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 6472338
2-[(1,2-dimethylbenzimidazol-5-yl)methylamino]propanenitrile
CID 115130198
1-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylpropane-1,2-diamine
CID 115135940
5-[(cycloheptylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 6471863
N-(2,6-dichlorophenyl)-1-methyl-5-[[(4-methylcyclohexyl)amino]methyl]benzimidazol-2-amine
CID 91514130
1-(1,2-dimethylbenzimidazol-5-yl)-N,N-dimethylmethanamine
CID 117043705
2-(1,2-dimethylbenzimidazol-5-yl)ethanamine
CID 82255152
1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea
CID 110775488
3-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 115135338
1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea
CID 110775493

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutanamine?
The IUPAC name of N-[(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutanamine (CID 82495021) is N-[(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutanamine?
The canonical SMILES for N-[(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutanamine is Cc1nc2cc(CNC3CCC3)ccc2n1C.
What is the InChIKey of N-[(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutanamine?
The InChIKey is HJSYEIYHKMNRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-16-13-8-11(6-7-14(13)17(10)2)9-15-12-4-3-5-12/h6-8,12,15H,3-5,9H2,1-2H3.
What are the key properties of N-[(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutanamine?
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutanamine has a molecular weight of 229.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutanamine is sourced from PubChem (CID 82495021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).