5-[3-(4-methylphenyl)benzimidazol-5-yl]pyridin-2-amine

C19H16N4 — CID 147541893

IUPAC5-[3-(4-methylphenyl)benzimidazol-5-yl]pyridin-2-amine
SMILESCc1ccc(-n2cnc3ccc(-c4ccc(N)nc4)cc32)cc1
InChIInChI=1S/C19H16N4/c1-13-2-6-16(7-3-13)23-12-22-17-8-4-14(10-18(17)23)15-5-9-19(20)21-11-15/h2-12H,1H3,(H2,20,21)
InChIKeyFPBSTHBMNVPXJX-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.98
Rot. Bonds2

About 5-[3-(4-methylphenyl)benzimidazol-5-yl]pyridin-2-amine

5-[3-(4-methylphenyl)benzimidazol-5-yl]pyridin-2-amine (PubChem CID 147541893) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 5-[3-(4-methylphenyl)benzimidazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(4-methylphenyl)benzimidazol-5-yl]pyridin-2-amine
PubChem CID147541893
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name5-[3-(4-methylphenyl)benzimidazol-5-yl]pyridin-2-amine
SMILESCc1ccc(-n2cnc3ccc(-c4ccc(N)nc4)cc32)cc1
InChIInChI=1S/C19H16N4/c1-13-2-6-16(7-3-13)23-12-22-17-8-4-14(10-18(17)23)15-5-9-19(20)21-11-15/h2-12H,1H3,(H2,20,21)
InChIKeyFPBSTHBMNVPXJX-UHFFFAOYSA-N
XLogP3.98
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methylphenyl)benzimidazol-5-yl]pyridin-2-amine?
The IUPAC name of 5-[3-(4-methylphenyl)benzimidazol-5-yl]pyridin-2-amine (CID 147541893) is 5-[3-(4-methylphenyl)benzimidazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(4-methylphenyl)benzimidazol-5-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-(4-methylphenyl)benzimidazol-5-yl]pyridin-2-amine is Cc1ccc(-n2cnc3ccc(-c4ccc(N)nc4)cc32)cc1.
What is the InChIKey of 5-[3-(4-methylphenyl)benzimidazol-5-yl]pyridin-2-amine?
The InChIKey is FPBSTHBMNVPXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-13-2-6-16(7-3-13)23-12-22-17-8-4-14(10-18(17)23)15-5-9-19(20)21-11-15/h2-12H,1H3,(H2,20,21).
What are the key properties of 5-[3-(4-methylphenyl)benzimidazol-5-yl]pyridin-2-amine?
5-[3-(4-methylphenyl)benzimidazol-5-yl]pyridin-2-amine has a molecular weight of 300.37 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methylphenyl)benzimidazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 147541893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).