3-(6-benzyl-1H-benzimidazol-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine

C23H20N6 — CID 50924475

IUPAC3-(6-benzyl-1H-benzimidazol-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine
SMILESCn1cc(-c2cnc(N)c(-c3nc4ccc(Cc5ccccc5)cc4[nH]3)c2)cn1
InChIInChI=1S/C23H20N6/c1-29-14-18(13-26-29)17-11-19(22(24)25-12-17)23-27-20-8-7-16(10-21(20)28-23)9-15-5-3-2-4-6-15/h2-8,10-14H,9H2,1H3,(H2,24,25)(H,27,28)
InChIKeyJGNWAIGDONFTFY-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.20
Rot. Bonds4

About 3-(6-benzyl-1H-benzimidazol-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine

3-(6-benzyl-1H-benzimidazol-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine (PubChem CID 50924475) has the molecular formula C23H20N6 and a molecular weight of 380.46 g/mol. Its IUPAC name is 3-(6-benzyl-1H-benzimidazol-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(6-benzyl-1H-benzimidazol-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine
PubChem CID50924475
Molecular FormulaC23H20N6
Molecular Weight380.46 g/mol
Exact Mass380.17
IUPAC Name3-(6-benzyl-1H-benzimidazol-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine
SMILESCn1cc(-c2cnc(N)c(-c3nc4ccc(Cc5ccccc5)cc4[nH]3)c2)cn1
InChIInChI=1S/C23H20N6/c1-29-14-18(13-26-29)17-11-19(22(24)25-12-17)23-27-20-8-7-16(10-21(20)28-23)9-15-5-3-2-4-6-15/h2-8,10-14H,9H2,1H3,(H2,24,25)(H,27,28)
InChIKeyJGNWAIGDONFTFY-UHFFFAOYSA-N
XLogP4.20
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(6-benzyl-1H-benzimidazol-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-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 3-(6-benzyl-1H-benzimidazol-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-(6-benzyl-1H-benzimidazol-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine (CID 50924475) is 3-(6-benzyl-1H-benzimidazol-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-(6-benzyl-1H-benzimidazol-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-(6-benzyl-1H-benzimidazol-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine is Cn1cc(-c2cnc(N)c(-c3nc4ccc(Cc5ccccc5)cc4[nH]3)c2)cn1.
What is the InChIKey of 3-(6-benzyl-1H-benzimidazol-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is JGNWAIGDONFTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6/c1-29-14-18(13-26-29)17-11-19(22(24)25-12-17)23-27-20-8-7-16(10-21(20)28-23)9-15-5-3-2-4-6-15/h2-8,10-14H,9H2,1H3,(H2,24,25)(H,27,28).
What are the key properties of 3-(6-benzyl-1H-benzimidazol-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine?
3-(6-benzyl-1H-benzimidazol-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 380.46 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-benzyl-1H-benzimidazol-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 50924475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).