[1-(4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine

C13H17N3 — CID 115445762

IUPAC[1-(4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
SMILESCc1cccc2[nH]c(C3(CN)CCC3)nc12
InChIInChI=1S/C13H17N3/c1-9-4-2-5-10-11(9)16-12(15-10)13(8-14)6-3-7-13/h2,4-5H,3,6-8,14H2,1H3,(H,15,16)
InChIKeyWGWCOSUKFJPNEU-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.25
Rot. Bonds2

About [1-(4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine

[1-(4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine (PubChem CID 115445762) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is [1-(4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
PubChem CID115445762
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name[1-(4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
SMILESCc1cccc2[nH]c(C3(CN)CCC3)nc12
InChIInChI=1S/C13H17N3/c1-9-4-2-5-10-11(9)16-12(15-10)13(8-14)6-3-7-13/h2,4-5H,3,6-8,14H2,1H3,(H,15,16)
InChIKeyWGWCOSUKFJPNEU-UHFFFAOYSA-N
XLogP2.25
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[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-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
CID 115445764
[1-(6-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
CID 115445730
4-methyl-2-(2-methylpiperidin-2-yl)-1H-benzimidazole
CID 113430741
2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)cyclohexan-1-amine
CID 83213549
4-bromo-2-(1-ethylcyclopentyl)-1H-benzimidazole
CID 114271481
2-(1-adamantyl)-4-methyl-1H-benzimidazole
CID 64722495
[1-(4-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine
CID 113309244
[1-(1H-benzimidazol-2-yl)-4-methylcyclohexyl]methanamine
CID 113310412
2-(1-ethylcyclopentyl)-4,6-dimethyl-1H-benzimidazole
CID 82947488
[1-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexyl]methanamine
CID 115436274

Frequently Asked Questions

What is the IUPAC name of [1-(4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine (CID 115445762) is [1-(4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine is Cc1cccc2[nH]c(C3(CN)CCC3)nc12.
What is the InChIKey of [1-(4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine?
The InChIKey is WGWCOSUKFJPNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9-4-2-5-10-11(9)16-12(15-10)13(8-14)6-3-7-13/h2,4-5H,3,6-8,14H2,1H3,(H,15,16).
What are the key properties of [1-(4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine?
[1-(4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine has a molecular weight of 215.30 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine is sourced from PubChem (CID 115445762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).