(1S)-2-methyl-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propan-1-amine

C19H23N3 — CID 54757248

IUPAC(1S)-2-methyl-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propan-1-amine
SMILESCc1cccc(Cn2c([C@@H](N)C(C)C)nc3ccccc32)c1
InChIInChI=1S/C19H23N3/c1-13(2)18(20)19-21-16-9-4-5-10-17(16)22(19)12-15-8-6-7-14(3)11-15/h4-11,13,18H,12,20H2,1-3H3/t18-/m0/s1
InChIKeyBLQMEUJBVHQZJI-SFHVURJKSA-N
MW293.41 g/mol
LogP4.05
Rot. Bonds4

About (1S)-2-methyl-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propan-1-amine

(1S)-2-methyl-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propan-1-amine (PubChem CID 54757248) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (1S)-2-methyl-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name(1S)-2-methyl-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propan-1-amine
PubChem CID54757248
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name(1S)-2-methyl-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propan-1-amine
SMILESCc1cccc(Cn2c([C@@H](N)C(C)C)nc3ccccc32)c1
InChIInChI=1S/C19H23N3/c1-13(2)18(20)19-21-16-9-4-5-10-17(16)22(19)12-15-8-6-7-14(3)11-15/h4-11,13,18H,12,20H2,1-3H3/t18-/m0/s1
InChIKeyBLQMEUJBVHQZJI-SFHVURJKSA-N
XLogP4.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-2-methyl-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propan-1-amine?
The IUPAC name of (1S)-2-methyl-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propan-1-amine (CID 54757248) is (1S)-2-methyl-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propan-1-amine.
What is the SMILES notation for (1S)-2-methyl-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propan-1-amine?
The canonical SMILES for (1S)-2-methyl-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propan-1-amine is Cc1cccc(Cn2c([C@@H](N)C(C)C)nc3ccccc32)c1.
What is the InChIKey of (1S)-2-methyl-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propan-1-amine?
The InChIKey is BLQMEUJBVHQZJI-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23N3/c1-13(2)18(20)19-21-16-9-4-5-10-17(16)22(19)12-15-8-6-7-14(3)11-15/h4-11,13,18H,12,20H2,1-3H3/t18-/m0/s1.
What are the key properties of (1S)-2-methyl-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propan-1-amine?
(1S)-2-methyl-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propan-1-amine is sourced from PubChem (CID 54757248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).