1-benzyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine

C19H17N3S — CID 870327

IUPAC1-benzyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine
SMILESc1ccc(Cn2c(NCc3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C19H17N3S/c1-2-7-15(8-3-1)14-22-18-11-5-4-10-17(18)21-19(22)20-13-16-9-6-12-23-16/h1-12H,13-14H2,(H,20,21)
InChIKeyNYVZSYRGNGMPKL-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.76
Rot. Bonds5

About 1-benzyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine

1-benzyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine (PubChem CID 870327) has the molecular formula C19H17N3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-benzyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-benzyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine
PubChem CID870327
Molecular FormulaC19H17N3S
Molecular Weight319.43 g/mol
Exact Mass319.11
IUPAC Name1-benzyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine
SMILESc1ccc(Cn2c(NCc3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C19H17N3S/c1-2-7-15(8-3-1)14-22-18-11-5-4-10-17(18)21-19(22)20-13-16-9-6-12-23-16/h1-12H,13-14H2,(H,20,21)
InChIKeyNYVZSYRGNGMPKL-UHFFFAOYSA-N
XLogP4.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 1-benzyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine (CID 870327) is 1-benzyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 1-benzyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 1-benzyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine is c1ccc(Cn2c(NCc3cccs3)nc3ccccc32)cc1.
What is the InChIKey of 1-benzyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine?
The InChIKey is NYVZSYRGNGMPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3S/c1-2-7-15(8-3-1)14-22-18-11-5-4-10-17(18)21-19(22)20-13-16-9-6-12-23-16/h1-12H,13-14H2,(H,20,21).
What are the key properties of 1-benzyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine?
1-benzyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine has a molecular weight of 319.43 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 870327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).