1-[2-(benzimidazol-1-yl)cyclobutyl]-N-methylmethanamine

C13H17N3 — CID 81005426

IUPAC1-[2-(benzimidazol-1-yl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1n1cnc2ccccc21
InChIInChI=1S/C13H17N3/c1-14-8-10-6-7-12(10)16-9-15-11-4-2-3-5-13(11)16/h2-5,9-10,12,14H,6-8H2,1H3
InChIKeyBULUWLHNRJLDDJ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.21
Rot. Bonds3

About 1-[2-(benzimidazol-1-yl)cyclobutyl]-N-methylmethanamine

1-[2-(benzimidazol-1-yl)cyclobutyl]-N-methylmethanamine (PubChem CID 81005426) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-[2-(benzimidazol-1-yl)cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(benzimidazol-1-yl)cyclobutyl]-N-methylmethanamine
PubChem CID81005426
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-[2-(benzimidazol-1-yl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1n1cnc2ccccc21
InChIInChI=1S/C13H17N3/c1-14-8-10-6-7-12(10)16-9-15-11-4-2-3-5-13(11)16/h2-5,9-10,12,14H,6-8H2,1H3
InChIKeyBULUWLHNRJLDDJ-UHFFFAOYSA-N
XLogP2.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzimidazol-1-yl)-N-methylcyclopentan-1-amine
CID 79643579
6-(benzimidazol-1-yl)-2,2-dimethylcyclohexan-1-amine
CID 79828393
1-(benzimidazol-1-yl)-3-cyclopentyl-N-methylpropan-2-amine
CID 105138856
3-(benzimidazol-1-yl)-N-propylcyclopentan-1-amine
CID 79644048
4-(benzimidazol-1-yl)-1,1-dioxothiolan-3-ol
CID 60665758
4-(benzimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 82513545
1-(2H-pyran-2-yl)benzimidazole
CID 67294190
4-(benzimidazol-1-yl)cyclohexan-1-amine;dihydrochloride
CID 171992049
4-(benzimidazol-1-yl)-4,5-dihydro-1,2-thiazole
CID 141207443
2-(benzimidazol-1-yl)-4-propylcyclohexane-1-carbonitrile
CID 43292077
6-(benzimidazol-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 16783124
3-(benzimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile
CID 79638590

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzimidazol-1-yl)cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(benzimidazol-1-yl)cyclobutyl]-N-methylmethanamine (CID 81005426) is 1-[2-(benzimidazol-1-yl)cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(benzimidazol-1-yl)cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(benzimidazol-1-yl)cyclobutyl]-N-methylmethanamine is CNCC1CCC1n1cnc2ccccc21.
What is the InChIKey of 1-[2-(benzimidazol-1-yl)cyclobutyl]-N-methylmethanamine?
The InChIKey is BULUWLHNRJLDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-14-8-10-6-7-12(10)16-9-15-11-4-2-3-5-13(11)16/h2-5,9-10,12,14H,6-8H2,1H3.
What are the key properties of 1-[2-(benzimidazol-1-yl)cyclobutyl]-N-methylmethanamine?
1-[2-(benzimidazol-1-yl)cyclobutyl]-N-methylmethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzimidazol-1-yl)cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 81005426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).