(3-methyl-5-phenylbenzimidazol-4-yl)methanamine

C15H15N3 — CID 11514208

IUPAC(3-methyl-5-phenylbenzimidazol-4-yl)methanamine
SMILESCn1cnc2ccc(-c3ccccc3)c(CN)c21
InChIInChI=1S/C15H15N3/c1-18-10-17-14-8-7-12(13(9-16)15(14)18)11-5-3-2-4-6-11/h2-8,10H,9,16H2,1H3
InChIKeySLVXBXBDZKPNGX-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.70
Rot. Bonds2

About (3-methyl-5-phenylbenzimidazol-4-yl)methanamine

(3-methyl-5-phenylbenzimidazol-4-yl)methanamine (PubChem CID 11514208) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is (3-methyl-5-phenylbenzimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-5-phenylbenzimidazol-4-yl)methanamine
PubChem CID11514208
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name(3-methyl-5-phenylbenzimidazol-4-yl)methanamine
SMILESCn1cnc2ccc(-c3ccccc3)c(CN)c21
InChIInChI=1S/C15H15N3/c1-18-10-17-14-8-7-12(13(9-16)15(14)18)11-5-3-2-4-6-11/h2-8,10H,9,16H2,1H3
InChIKeySLVXBXBDZKPNGX-UHFFFAOYSA-N
XLogP2.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-phenylbenzimidazol-4-yl)methanamine?
The IUPAC name of (3-methyl-5-phenylbenzimidazol-4-yl)methanamine (CID 11514208) is (3-methyl-5-phenylbenzimidazol-4-yl)methanamine.
What is the SMILES notation for (3-methyl-5-phenylbenzimidazol-4-yl)methanamine?
The canonical SMILES for (3-methyl-5-phenylbenzimidazol-4-yl)methanamine is Cn1cnc2ccc(-c3ccccc3)c(CN)c21.
What is the InChIKey of (3-methyl-5-phenylbenzimidazol-4-yl)methanamine?
The InChIKey is SLVXBXBDZKPNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-18-10-17-14-8-7-12(13(9-16)15(14)18)11-5-3-2-4-6-11/h2-8,10H,9,16H2,1H3.
What are the key properties of (3-methyl-5-phenylbenzimidazol-4-yl)methanamine?
(3-methyl-5-phenylbenzimidazol-4-yl)methanamine has a molecular weight of 237.31 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-phenylbenzimidazol-4-yl)methanamine is sourced from PubChem (CID 11514208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).