1-benzyl-N-(pyridin-4-ylmethyl)benzimidazol-2-amine

C20H18N4 — CID 1122134

IUPAC1-benzyl-N-(pyridin-4-ylmethyl)benzimidazol-2-amine
SMILESc1ccc(Cn2c(NCc3ccncc3)nc3ccccc32)cc1
InChIInChI=1S/C20H18N4/c1-2-6-17(7-3-1)15-24-19-9-5-4-8-18(19)23-20(24)22-14-16-10-12-21-13-11-16/h1-13H,14-15H2,(H,22,23)
InChIKeySGEHOVYVDXLTFP-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.09
Rot. Bonds5

About 1-benzyl-N-(pyridin-4-ylmethyl)benzimidazol-2-amine

1-benzyl-N-(pyridin-4-ylmethyl)benzimidazol-2-amine (PubChem CID 1122134) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-benzyl-N-(pyridin-4-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-benzyl-N-(pyridin-4-ylmethyl)benzimidazol-2-amine
PubChem CID1122134
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name1-benzyl-N-(pyridin-4-ylmethyl)benzimidazol-2-amine
SMILESc1ccc(Cn2c(NCc3ccncc3)nc3ccccc32)cc1
InChIInChI=1S/C20H18N4/c1-2-6-17(7-3-1)15-24-19-9-5-4-8-18(19)23-20(24)22-14-16-10-12-21-13-11-16/h1-13H,14-15H2,(H,22,23)
InChIKeySGEHOVYVDXLTFP-UHFFFAOYSA-N
XLogP4.09
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(pyridin-4-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 1-benzyl-N-(pyridin-4-ylmethyl)benzimidazol-2-amine (CID 1122134) is 1-benzyl-N-(pyridin-4-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 1-benzyl-N-(pyridin-4-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 1-benzyl-N-(pyridin-4-ylmethyl)benzimidazol-2-amine is c1ccc(Cn2c(NCc3ccncc3)nc3ccccc32)cc1.
What is the InChIKey of 1-benzyl-N-(pyridin-4-ylmethyl)benzimidazol-2-amine?
The InChIKey is SGEHOVYVDXLTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-2-6-17(7-3-1)15-24-19-9-5-4-8-18(19)23-20(24)22-14-16-10-12-21-13-11-16/h1-13H,14-15H2,(H,22,23).
What are the key properties of 1-benzyl-N-(pyridin-4-ylmethyl)benzimidazol-2-amine?
1-benzyl-N-(pyridin-4-ylmethyl)benzimidazol-2-amine has a molecular weight of 314.39 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(pyridin-4-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 1122134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).