[2-(5-chlorothiophen-2-yl)-1H-benzimidazol-4-yl]methanamine

C12H10ClN3S — CID 104721055

IUPAC[2-(5-chlorothiophen-2-yl)-1H-benzimidazol-4-yl]methanamine
SMILESNCc1cccc2[nH]c(-c3ccc(Cl)s3)nc12
InChIInChI=1S/C12H10ClN3S/c13-10-5-4-9(17-10)12-15-8-3-1-2-7(6-14)11(8)16-12/h1-5H,6,14H2,(H,15,16)
InChIKeyYNNLWXGHXRKDSR-UHFFFAOYSA-N
MW263.75 g/mol
LogP3.40
Rot. Bonds2

About [2-(5-chlorothiophen-2-yl)-1H-benzimidazol-4-yl]methanamine

[2-(5-chlorothiophen-2-yl)-1H-benzimidazol-4-yl]methanamine (PubChem CID 104721055) has the molecular formula C12H10ClN3S and a molecular weight of 263.75 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-1H-benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-1H-benzimidazol-4-yl]methanamine
PubChem CID104721055
Molecular FormulaC12H10ClN3S
Molecular Weight263.75 g/mol
Exact Mass263.03
IUPAC Name[2-(5-chlorothiophen-2-yl)-1H-benzimidazol-4-yl]methanamine
SMILESNCc1cccc2[nH]c(-c3ccc(Cl)s3)nc12
InChIInChI=1S/C12H10ClN3S/c13-10-5-4-9(17-10)12-15-8-3-1-2-7(6-14)11(8)16-12/h1-5H,6,14H2,(H,15,16)
InChIKeyYNNLWXGHXRKDSR-UHFFFAOYSA-N
XLogP3.40
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721233
[2-(4-chloro-3-fluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 107994630
[2-(3,5-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721059
[2-(furan-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721099
[2-(3-methylphenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721321
[2-(2,3,4-trifluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721024
[2-(5-methylfuran-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721322
[2-(4-methylsulfanylphenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721162
(2-isoquinolin-1-yl-1H-benzimidazol-4-yl)methanamine
CID 104721160
[2-(2-methoxy-3-pyridinyl)-1H-benzimidazol-4-yl]methanamine
CID 104721137
[2-(3-ethyl-6-methylpyridazin-4-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721029
[2-(2,2,2-trifluoroethyl)-1H-benzimidazol-4-yl]methanamine
CID 104721226

Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-1H-benzimidazol-4-yl]methanamine?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-1H-benzimidazol-4-yl]methanamine (CID 104721055) is [2-(5-chlorothiophen-2-yl)-1H-benzimidazol-4-yl]methanamine.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-1H-benzimidazol-4-yl]methanamine?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-1H-benzimidazol-4-yl]methanamine is NCc1cccc2[nH]c(-c3ccc(Cl)s3)nc12.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-1H-benzimidazol-4-yl]methanamine?
The InChIKey is YNNLWXGHXRKDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3S/c13-10-5-4-9(17-10)12-15-8-3-1-2-7(6-14)11(8)16-12/h1-5H,6,14H2,(H,15,16).
What are the key properties of [2-(5-chlorothiophen-2-yl)-1H-benzimidazol-4-yl]methanamine?
[2-(5-chlorothiophen-2-yl)-1H-benzimidazol-4-yl]methanamine has a molecular weight of 263.75 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorothiophen-2-yl)-1H-benzimidazol-4-yl]methanamine is sourced from PubChem (CID 104721055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).