4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine

C14H21N3 — CID 79753294

IUPAC4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
SMILESCC(C)CC(N)Cc1nc2ccccc2n1C
InChIInChI=1S/C14H21N3/c1-10(2)8-11(15)9-14-16-12-6-4-5-7-13(12)17(14)3/h4-7,10-11H,8-9,15H2,1-3H3
InChIKeyNCCZYHDURJFVBU-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.49
Rot. Bonds4

About 4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine

4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine (PubChem CID 79753294) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
PubChem CID79753294
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
SMILESCC(C)CC(N)Cc1nc2ccccc2n1C
InChIInChI=1S/C14H21N3/c1-10(2)8-11(15)9-14-16-12-6-4-5-7-13(12)17(14)3/h4-7,10-11H,8-9,15H2,1-3H3
InChIKeyNCCZYHDURJFVBU-UHFFFAOYSA-N
XLogP2.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride
CID 170893125
N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79754110
1-(1-benzylbenzimidazol-2-yl)-4-methylpentan-2-amine
CID 175232224
2-(4-chloro-2-methylpentyl)-1-methylbenzimidazole
CID 79751041
5,5,5-trifluoro-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79953293
1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-amine
CID 105007666
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
CID 79753296
1-(1-methylbenzimidazol-2-yl)-3-methylsulfonylbutan-2-amine
CID 105007637
3-ethoxy-1-(1-methylbenzimidazol-2-yl)butan-2-amine
CID 79751231
4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-amine
CID 105007641
1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79750402

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The IUPAC name of 4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine (CID 79753294) is 4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine.
What is the SMILES notation for 4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The canonical SMILES for 4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine is CC(C)CC(N)Cc1nc2ccccc2n1C.
What is the InChIKey of 4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The InChIKey is NCCZYHDURJFVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-10(2)8-11(15)9-14-16-12-6-4-5-7-13(12)17(14)3/h4-7,10-11H,8-9,15H2,1-3H3.
What are the key properties of 4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine has a molecular weight of 231.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine is sourced from PubChem (CID 79753294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).