4-chloro-1-(thiophen-2-ylmethyl)benzimidazol-2-amine

C12H10ClN3S — CID 104836904

IUPAC4-chloro-1-(thiophen-2-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2c(Cl)cccc2n1Cc1cccs1
InChIInChI=1S/C12H10ClN3S/c13-9-4-1-5-10-11(9)15-12(14)16(10)7-8-3-2-6-17-8/h1-6H,7H2,(H2,14,15)
InChIKeyWAUUVFIESRZWAR-UHFFFAOYSA-N
MW263.75 g/mol
LogP3.38
Rot. Bonds2

About 4-chloro-1-(thiophen-2-ylmethyl)benzimidazol-2-amine

4-chloro-1-(thiophen-2-ylmethyl)benzimidazol-2-amine (PubChem CID 104836904) has the molecular formula C12H10ClN3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 4-chloro-1-(thiophen-2-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-1-(thiophen-2-ylmethyl)benzimidazol-2-amine
PubChem CID104836904
Molecular FormulaC12H10ClN3S
Molecular Weight263.75 g/mol
Exact Mass263.03
IUPAC Name4-chloro-1-(thiophen-2-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2c(Cl)cccc2n1Cc1cccs1
InChIInChI=1S/C12H10ClN3S/c13-9-4-1-5-10-11(9)15-12(14)16(10)7-8-3-2-6-17-8/h1-6H,7H2,(H2,14,15)
InChIKeyWAUUVFIESRZWAR-UHFFFAOYSA-N
XLogP3.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-[(5-methylthiophen-2-yl)methyl]benzimidazol-2-amine
CID 104837059
4-chloro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-amine
CID 104836999
4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine
CID 106900318
4-chloro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
CID 106419843
4-chloro-2-(chloromethyl)-1-(2-thiophen-2-ylethyl)benzimidazole
CID 104837421
4-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole
CID 104837422
2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide
CID 104836765
4-chloro-1-[(2,5-difluorophenyl)methyl]benzimidazol-2-amine
CID 104837124
3-(2-amino-4-chlorobenzimidazol-1-yl)propanoic acid
CID 84736899
4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008445
4-chloro-1-(2,2,3,3-tetrafluoropropyl)benzimidazol-2-amine
CID 106294645
1-[(2-chlorophenyl)methyl]-4-fluorobenzimidazol-2-amine
CID 60789953

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(thiophen-2-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 4-chloro-1-(thiophen-2-ylmethyl)benzimidazol-2-amine (CID 104836904) is 4-chloro-1-(thiophen-2-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-1-(thiophen-2-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 4-chloro-1-(thiophen-2-ylmethyl)benzimidazol-2-amine is Nc1nc2c(Cl)cccc2n1Cc1cccs1.
What is the InChIKey of 4-chloro-1-(thiophen-2-ylmethyl)benzimidazol-2-amine?
The InChIKey is WAUUVFIESRZWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3S/c13-9-4-1-5-10-11(9)15-12(14)16(10)7-8-3-2-6-17-8/h1-6H,7H2,(H2,14,15).
What are the key properties of 4-chloro-1-(thiophen-2-ylmethyl)benzimidazol-2-amine?
4-chloro-1-(thiophen-2-ylmethyl)benzimidazol-2-amine has a molecular weight of 263.75 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(thiophen-2-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 104836904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).