1,2-dimethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine

C15H16N4 — CID 3159773

IUPAC1,2-dimethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine
SMILESCc1nc2cc(NCc3ccncc3)ccc2n1C
InChIInChI=1S/C15H16N4/c1-11-18-14-9-13(3-4-15(14)19(11)2)17-10-12-5-7-16-8-6-12/h3-9,17H,10H2,1-2H3
InChIKeyCHAVYWGAIGSGRI-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.89
Rot. Bonds3

About 1,2-dimethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine

1,2-dimethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine (PubChem CID 3159773) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1,2-dimethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name1,2-dimethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine
PubChem CID3159773
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name1,2-dimethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine
SMILESCc1nc2cc(NCc3ccncc3)ccc2n1C
InChIInChI=1S/C15H16N4/c1-11-18-14-9-13(3-4-15(14)19(11)2)17-10-12-5-7-16-8-6-12/h3-9,17H,10H2,1-2H3
InChIKeyCHAVYWGAIGSGRI-UHFFFAOYSA-N
XLogP2.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine?
The IUPAC name of 1,2-dimethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine (CID 3159773) is 1,2-dimethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine.
What is the SMILES notation for 1,2-dimethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine?
The canonical SMILES for 1,2-dimethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine is Cc1nc2cc(NCc3ccncc3)ccc2n1C.
What is the InChIKey of 1,2-dimethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine?
The InChIKey is CHAVYWGAIGSGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-11-18-14-9-13(3-4-15(14)19(11)2)17-10-12-5-7-16-8-6-12/h3-9,17H,10H2,1-2H3.
What are the key properties of 1,2-dimethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine?
1,2-dimethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine has a molecular weight of 252.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine is sourced from PubChem (CID 3159773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).