4-[1-(2-methyl-1H-benzimidazol-4-yl)imidazol-2-yl]pyridin-2-amine

C16H14N6 — CID 146045395

IUPAC4-[1-(2-methyl-1H-benzimidazol-4-yl)imidazol-2-yl]pyridin-2-amine
SMILESCc1nc2c(-n3ccnc3-c3ccnc(N)c3)cccc2[nH]1
InChIInChI=1S/C16H14N6/c1-10-20-12-3-2-4-13(15(12)21-10)22-8-7-19-16(22)11-5-6-18-14(17)9-11/h2-9H,1H3,(H2,17,18)(H,20,21)
InChIKeyIPTDFWGGMLNGIZ-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.70
Rot. Bonds2

About 4-[1-(2-methyl-1H-benzimidazol-4-yl)imidazol-2-yl]pyridin-2-amine

4-[1-(2-methyl-1H-benzimidazol-4-yl)imidazol-2-yl]pyridin-2-amine (PubChem CID 146045395) has the molecular formula C16H14N6 and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-[1-(2-methyl-1H-benzimidazol-4-yl)imidazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[1-(2-methyl-1H-benzimidazol-4-yl)imidazol-2-yl]pyridin-2-amine
PubChem CID146045395
Molecular FormulaC16H14N6
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name4-[1-(2-methyl-1H-benzimidazol-4-yl)imidazol-2-yl]pyridin-2-amine
SMILESCc1nc2c(-n3ccnc3-c3ccnc(N)c3)cccc2[nH]1
InChIInChI=1S/C16H14N6/c1-10-20-12-3-2-4-13(15(12)21-10)22-8-7-19-16(22)11-5-6-18-14(17)9-11/h2-9H,1H3,(H2,17,18)(H,20,21)
InChIKeyIPTDFWGGMLNGIZ-UHFFFAOYSA-N
XLogP2.70
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methyl-1H-benzimidazol-4-yl)imidazol-2-yl]pyridin-2-amine?
The IUPAC name of 4-[1-(2-methyl-1H-benzimidazol-4-yl)imidazol-2-yl]pyridin-2-amine (CID 146045395) is 4-[1-(2-methyl-1H-benzimidazol-4-yl)imidazol-2-yl]pyridin-2-amine.
What is the SMILES notation for 4-[1-(2-methyl-1H-benzimidazol-4-yl)imidazol-2-yl]pyridin-2-amine?
The canonical SMILES for 4-[1-(2-methyl-1H-benzimidazol-4-yl)imidazol-2-yl]pyridin-2-amine is Cc1nc2c(-n3ccnc3-c3ccnc(N)c3)cccc2[nH]1.
What is the InChIKey of 4-[1-(2-methyl-1H-benzimidazol-4-yl)imidazol-2-yl]pyridin-2-amine?
The InChIKey is IPTDFWGGMLNGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6/c1-10-20-12-3-2-4-13(15(12)21-10)22-8-7-19-16(22)11-5-6-18-14(17)9-11/h2-9H,1H3,(H2,17,18)(H,20,21).
What are the key properties of 4-[1-(2-methyl-1H-benzimidazol-4-yl)imidazol-2-yl]pyridin-2-amine?
4-[1-(2-methyl-1H-benzimidazol-4-yl)imidazol-2-yl]pyridin-2-amine has a molecular weight of 290.33 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methyl-1H-benzimidazol-4-yl)imidazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 146045395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).