6-chloro-N-(thiophen-3-ylmethyl)-1H-benzimidazol-2-amine

C12H10ClN3S — CID 69311089

IUPAC6-chloro-N-(thiophen-3-ylmethyl)-1H-benzimidazol-2-amine
SMILESClc1ccc2nc(NCc3ccsc3)[nH]c2c1
InChIInChI=1S/C12H10ClN3S/c13-9-1-2-10-11(5-9)16-12(15-10)14-6-8-3-4-17-7-8/h1-5,7H,6H2,(H2,14,15,16)
InChIKeyWGWIMCMVDQCQDZ-UHFFFAOYSA-N
MW263.75 g/mol
LogP3.89
Rot. Bonds3

About 6-chloro-N-(thiophen-3-ylmethyl)-1H-benzimidazol-2-amine

6-chloro-N-(thiophen-3-ylmethyl)-1H-benzimidazol-2-amine (PubChem CID 69311089) has the molecular formula C12H10ClN3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 6-chloro-N-(thiophen-3-ylmethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(thiophen-3-ylmethyl)-1H-benzimidazol-2-amine
PubChem CID69311089
Molecular FormulaC12H10ClN3S
Molecular Weight263.75 g/mol
Exact Mass263.03
IUPAC Name6-chloro-N-(thiophen-3-ylmethyl)-1H-benzimidazol-2-amine
SMILESClc1ccc2nc(NCc3ccsc3)[nH]c2c1
InChIInChI=1S/C12H10ClN3S/c13-9-1-2-10-11(5-9)16-12(15-10)14-6-8-3-4-17-7-8/h1-5,7H,6H2,(H2,14,15,16)
InChIKeyWGWIMCMVDQCQDZ-UHFFFAOYSA-N
XLogP3.89
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(thiophen-3-ylmethyl)-1H-benzimidazol-2-amine?
The IUPAC name of 6-chloro-N-(thiophen-3-ylmethyl)-1H-benzimidazol-2-amine (CID 69311089) is 6-chloro-N-(thiophen-3-ylmethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-N-(thiophen-3-ylmethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 6-chloro-N-(thiophen-3-ylmethyl)-1H-benzimidazol-2-amine is Clc1ccc2nc(NCc3ccsc3)[nH]c2c1.
What is the InChIKey of 6-chloro-N-(thiophen-3-ylmethyl)-1H-benzimidazol-2-amine?
The InChIKey is WGWIMCMVDQCQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3S/c13-9-1-2-10-11(5-9)16-12(15-10)14-6-8-3-4-17-7-8/h1-5,7H,6H2,(H2,14,15,16).
What are the key properties of 6-chloro-N-(thiophen-3-ylmethyl)-1H-benzimidazol-2-amine?
6-chloro-N-(thiophen-3-ylmethyl)-1H-benzimidazol-2-amine has a molecular weight of 263.75 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(thiophen-3-ylmethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 69311089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).