2-methyl-1-(1-phenylbenzimidazol-2-yl)butan-1-amine

C18H21N3 — CID 43470482

IUPAC2-methyl-1-(1-phenylbenzimidazol-2-yl)butan-1-amine
SMILESCCC(C)C(N)c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C18H21N3/c1-3-13(2)17(19)18-20-15-11-7-8-12-16(15)21(18)14-9-5-4-6-10-14/h4-13,17H,3,19H2,1-2H3
InChIKeyFXMHVLIQXGQAMI-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.07
Rot. Bonds4

About 2-methyl-1-(1-phenylbenzimidazol-2-yl)butan-1-amine

2-methyl-1-(1-phenylbenzimidazol-2-yl)butan-1-amine (PubChem CID 43470482) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-methyl-1-(1-phenylbenzimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(1-phenylbenzimidazol-2-yl)butan-1-amine
PubChem CID43470482
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name2-methyl-1-(1-phenylbenzimidazol-2-yl)butan-1-amine
SMILESCCC(C)C(N)c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C18H21N3/c1-3-13(2)17(19)18-20-15-11-7-8-12-16(15)21(18)14-9-5-4-6-10-14/h4-13,17H,3,19H2,1-2H3
InChIKeyFXMHVLIQXGQAMI-UHFFFAOYSA-N
XLogP4.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-phenylbenzimidazol-2-yl)butan-1-amine?
The IUPAC name of 2-methyl-1-(1-phenylbenzimidazol-2-yl)butan-1-amine (CID 43470482) is 2-methyl-1-(1-phenylbenzimidazol-2-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-1-(1-phenylbenzimidazol-2-yl)butan-1-amine?
The canonical SMILES for 2-methyl-1-(1-phenylbenzimidazol-2-yl)butan-1-amine is CCC(C)C(N)c1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of 2-methyl-1-(1-phenylbenzimidazol-2-yl)butan-1-amine?
The InChIKey is FXMHVLIQXGQAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-3-13(2)17(19)18-20-15-11-7-8-12-16(15)21(18)14-9-5-4-6-10-14/h4-13,17H,3,19H2,1-2H3.
What are the key properties of 2-methyl-1-(1-phenylbenzimidazol-2-yl)butan-1-amine?
2-methyl-1-(1-phenylbenzimidazol-2-yl)butan-1-amine has a molecular weight of 279.39 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-phenylbenzimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 43470482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).