N-[[2-(5,6-dimethylbenzimidazol-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine

C18H27N3 — CID 80998510

IUPACN-[[2-(5,6-dimethylbenzimidazol-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc2ncn(C3CCC3CNCC(C)C)c2cc1C
InChIInChI=1S/C18H27N3/c1-12(2)9-19-10-15-5-6-17(15)21-11-20-16-7-13(3)14(4)8-18(16)21/h7-8,11-12,15,17,19H,5-6,9-10H2,1-4H3
InChIKeyNBTZOXWMFUADGW-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.85
Rot. Bonds5

About N-[[2-(5,6-dimethylbenzimidazol-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine

N-[[2-(5,6-dimethylbenzimidazol-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine (PubChem CID 80998510) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[[2-(5,6-dimethylbenzimidazol-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(5,6-dimethylbenzimidazol-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
PubChem CID80998510
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[[2-(5,6-dimethylbenzimidazol-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc2ncn(C3CCC3CNCC(C)C)c2cc1C
InChIInChI=1S/C18H27N3/c1-12(2)9-19-10-15-5-6-17(15)21-11-20-16-7-13(3)14(4)8-18(16)21/h7-8,11-12,15,17,19H,5-6,9-10H2,1-4H3
InChIKeyNBTZOXWMFUADGW-UHFFFAOYSA-N
XLogP3.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(5,6-dimethylbenzimidazol-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(5,6-dimethylbenzimidazol-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine (CID 80998510) is N-[[2-(5,6-dimethylbenzimidazol-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(5,6-dimethylbenzimidazol-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(5,6-dimethylbenzimidazol-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine is Cc1cc2ncn(C3CCC3CNCC(C)C)c2cc1C.
What is the InChIKey of N-[[2-(5,6-dimethylbenzimidazol-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The InChIKey is NBTZOXWMFUADGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-12(2)9-19-10-15-5-6-17(15)21-11-20-16-7-13(3)14(4)8-18(16)21/h7-8,11-12,15,17,19H,5-6,9-10H2,1-4H3.
What are the key properties of N-[[2-(5,6-dimethylbenzimidazol-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine?
N-[[2-(5,6-dimethylbenzimidazol-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5,6-dimethylbenzimidazol-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 80998510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).