6-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine

C14H14N4 — CID 82946936

IUPAC6-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine
SMILESCc1cc(C)c2nc(-c3ccc(N)cn3)[nH]c2c1
InChIInChI=1S/C14H14N4/c1-8-5-9(2)13-12(6-8)17-14(18-13)11-4-3-10(15)7-16-11/h3-7H,15H2,1-2H3,(H,17,18)
InChIKeyMURLLYUVFYJQBH-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.82
Rot. Bonds1

About 6-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine

6-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine (PubChem CID 82946936) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine
PubChem CID82946936
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name6-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine
SMILESCc1cc(C)c2nc(-c3ccc(N)cn3)[nH]c2c1
InChIInChI=1S/C14H14N4/c1-8-5-9(2)13-12(6-8)17-14(18-13)11-4-3-10(15)7-16-11/h3-7H,15H2,1-2H3,(H,17,18)
InChIKeyMURLLYUVFYJQBH-UHFFFAOYSA-N
XLogP2.82
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine?
The IUPAC name of 6-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine (CID 82946936) is 6-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine.
What is the SMILES notation for 6-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine?
The canonical SMILES for 6-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine is Cc1cc(C)c2nc(-c3ccc(N)cn3)[nH]c2c1.
What is the InChIKey of 6-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine?
The InChIKey is MURLLYUVFYJQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-8-5-9(2)13-12(6-8)17-14(18-13)11-4-3-10(15)7-16-11/h3-7H,15H2,1-2H3,(H,17,18).
What are the key properties of 6-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine?
6-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine has a molecular weight of 238.29 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine is sourced from PubChem (CID 82946936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).