[1-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine

C14H19N3 — CID 115445764

IUPAC[1-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
SMILESCc1cc2nc(C3(CN)CCC3)[nH]c2cc1C
InChIInChI=1S/C14H19N3/c1-9-6-11-12(7-10(9)2)17-13(16-11)14(8-15)4-3-5-14/h6-7H,3-5,8,15H2,1-2H3,(H,16,17)
InChIKeyZXBPQUAKKCXZHU-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.56
Rot. Bonds2

About [1-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine

[1-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine (PubChem CID 115445764) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is [1-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
PubChem CID115445764
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name[1-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
SMILESCc1cc2nc(C3(CN)CCC3)[nH]c2cc1C
InChIInChI=1S/C14H19N3/c1-9-6-11-12(7-10(9)2)17-13(16-11)14(8-15)4-3-5-14/h6-7H,3-5,8,15H2,1-2H3,(H,16,17)
InChIKeyZXBPQUAKKCXZHU-UHFFFAOYSA-N
XLogP2.56
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(6-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
CID 115445730
[1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
CID 104574075
[1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclohexyl]methanamine
CID 82946428
[1-(4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
CID 115445762
[1-(6-methoxy-1H-benzimidazol-2-yl)cycloheptyl]methanamine
CID 115443684
[1-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexyl]methanamine
CID 115436274
[1-(1H-benzimidazol-2-yl)-4-methylcyclohexyl]methanamine
CID 113310412
2-(1-ethylcyclopentyl)-3H-benzimidazol-5-ol
CID 81432326
[1-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclobutyl]methanamine
CID 116929339
[1-(2-tert-butyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine
CID 117431672
2-(1-ethylcyclopentyl)-4,6-dimethyl-1H-benzimidazole
CID 82947488
2-amino-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanol
CID 66166899

Frequently Asked Questions

What is the IUPAC name of [1-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine (CID 115445764) is [1-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine is Cc1cc2nc(C3(CN)CCC3)[nH]c2cc1C.
What is the InChIKey of [1-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine?
The InChIKey is ZXBPQUAKKCXZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-9-6-11-12(7-10(9)2)17-13(16-11)14(8-15)4-3-5-14/h6-7H,3-5,8,15H2,1-2H3,(H,16,17).
What are the key properties of [1-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine?
[1-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine is sourced from PubChem (CID 115445764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).