2-methyl-1-phenylbenzimidazol-5-amine

C14H13N3 — CID 3422185

IUPAC2-methyl-1-phenylbenzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1-c1ccccc1
InChIInChI=1S/C14H13N3/c1-10-16-13-9-11(15)7-8-14(13)17(10)12-5-3-2-4-6-12/h2-9H,15H2,1H3
InChIKeyLUUFJWDADHYUJL-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.92
Rot. Bonds1

About 2-methyl-1-phenylbenzimidazol-5-amine

2-methyl-1-phenylbenzimidazol-5-amine (PubChem CID 3422185) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-methyl-1-phenylbenzimidazol-5-amine.

Molecular Properties

Compound Name2-methyl-1-phenylbenzimidazol-5-amine
PubChem CID3422185
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name2-methyl-1-phenylbenzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1-c1ccccc1
InChIInChI=1S/C14H13N3/c1-10-16-13-9-11(15)7-8-14(13)17(10)12-5-3-2-4-6-12/h2-9H,15H2,1H3
InChIKeyLUUFJWDADHYUJL-UHFFFAOYSA-N
XLogP2.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenylbenzimidazol-5-amine?
The IUPAC name of 2-methyl-1-phenylbenzimidazol-5-amine (CID 3422185) is 2-methyl-1-phenylbenzimidazol-5-amine.
What is the SMILES notation for 2-methyl-1-phenylbenzimidazol-5-amine?
The canonical SMILES for 2-methyl-1-phenylbenzimidazol-5-amine is Cc1nc2cc(N)ccc2n1-c1ccccc1.
What is the InChIKey of 2-methyl-1-phenylbenzimidazol-5-amine?
The InChIKey is LUUFJWDADHYUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-10-16-13-9-11(15)7-8-14(13)17(10)12-5-3-2-4-6-12/h2-9H,15H2,1H3.
What are the key properties of 2-methyl-1-phenylbenzimidazol-5-amine?
2-methyl-1-phenylbenzimidazol-5-amine has a molecular weight of 223.28 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenylbenzimidazol-5-amine is sourced from PubChem (CID 3422185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).