3-(benzimidazol-1-yl)-N,2-dimethylbutan-1-amine

C13H19N3 — CID 79409526

IUPAC3-(benzimidazol-1-yl)-N,2-dimethylbutan-1-amine
SMILESCNCC(C)C(C)n1cnc2ccccc21
InChIInChI=1S/C13H19N3/c1-10(8-14-3)11(2)16-9-15-12-6-4-5-7-13(12)16/h4-7,9-11,14H,8H2,1-3H3
InChIKeyMGGZLJFJIWTKDX-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.45
Rot. Bonds4

About 3-(benzimidazol-1-yl)-N,2-dimethylbutan-1-amine

3-(benzimidazol-1-yl)-N,2-dimethylbutan-1-amine (PubChem CID 79409526) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N,2-dimethylbutan-1-amine
PubChem CID79409526
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name3-(benzimidazol-1-yl)-N,2-dimethylbutan-1-amine
SMILESCNCC(C)C(C)n1cnc2ccccc21
InChIInChI=1S/C13H19N3/c1-10(8-14-3)11(2)16-9-15-12-6-4-5-7-13(12)16/h4-7,9-11,14H,8H2,1-3H3
InChIKeyMGGZLJFJIWTKDX-UHFFFAOYSA-N
XLogP2.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzimidazol-1-yl)pentan-3-amine
CID 16785487
1-butan-2-ylbenzimidazole;hydrochloride
CID 56832397
3-(benzimidazol-1-yl)-2-methylbutanoic acid
CID 79391700
1-(benzimidazol-1-yl)propane-1,2-diol
CID 22018573
4-(benzimidazol-1-yl)pentan-2-ol
CID 64720389
1-(dichloromethyl)benzimidazole
CID 69189311
3-(benzimidazol-1-yl)-N-tert-butylbutan-1-amine
CID 62447049
methyl 3-(benzimidazol-1-yl)butanoate
CID 43536389
3-(benzimidazol-1-yl)butanoic acid
CID 6486725
2-(benzimidazol-1-yl)pentan-1-amine
CID 83046427
1-(benzimidazol-1-yl)-N,N-diethylethane-1,2-diamine
CID 67626107
2-(benzimidazol-1-yl)-N-(3-methoxypropyl)propan-1-amine
CID 62564183

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 3-(benzimidazol-1-yl)-N,2-dimethylbutan-1-amine (CID 79409526) is 3-(benzimidazol-1-yl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 3-(benzimidazol-1-yl)-N,2-dimethylbutan-1-amine is CNCC(C)C(C)n1cnc2ccccc21.
What is the InChIKey of 3-(benzimidazol-1-yl)-N,2-dimethylbutan-1-amine?
The InChIKey is MGGZLJFJIWTKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-10(8-14-3)11(2)16-9-15-12-6-4-5-7-13(12)16/h4-7,9-11,14H,8H2,1-3H3.
What are the key properties of 3-(benzimidazol-1-yl)-N,2-dimethylbutan-1-amine?
3-(benzimidazol-1-yl)-N,2-dimethylbutan-1-amine has a molecular weight of 217.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 79409526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).