1-methyl-N-phenylbenzimidazol-2-amine

C14H13N3 — CID 923821

IUPAC1-methyl-N-phenylbenzimidazol-2-amine
SMILESCn1c(Nc2ccccc2)nc2ccccc21
InChIInChI=1S/C14H13N3/c1-17-13-10-6-5-9-12(13)16-14(17)15-11-7-3-2-4-8-11/h2-10H,1H3,(H,15,16)
InChIKeyBASOYPSBRDWRDY-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.32
Rot. Bonds2

About 1-methyl-N-phenylbenzimidazol-2-amine

1-methyl-N-phenylbenzimidazol-2-amine (PubChem CID 923821) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-methyl-N-phenylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-phenylbenzimidazol-2-amine
PubChem CID923821
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name1-methyl-N-phenylbenzimidazol-2-amine
SMILESCn1c(Nc2ccccc2)nc2ccccc21
InChIInChI=1S/C14H13N3/c1-17-13-10-6-5-9-12(13)16-14(17)15-11-7-3-2-4-8-11/h2-10H,1H3,(H,15,16)
InChIKeyBASOYPSBRDWRDY-UHFFFAOYSA-N
XLogP3.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-phenylbenzimidazol-2-amine?
The IUPAC name of 1-methyl-N-phenylbenzimidazol-2-amine (CID 923821) is 1-methyl-N-phenylbenzimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-phenylbenzimidazol-2-amine?
The canonical SMILES for 1-methyl-N-phenylbenzimidazol-2-amine is Cn1c(Nc2ccccc2)nc2ccccc21.
What is the InChIKey of 1-methyl-N-phenylbenzimidazol-2-amine?
The InChIKey is BASOYPSBRDWRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-17-13-10-6-5-9-12(13)16-14(17)15-11-7-3-2-4-8-11/h2-10H,1H3,(H,15,16).
What are the key properties of 1-methyl-N-phenylbenzimidazol-2-amine?
1-methyl-N-phenylbenzimidazol-2-amine has a molecular weight of 223.28 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-phenylbenzimidazol-2-amine is sourced from PubChem (CID 923821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).