4-chloro-1-[(5-methylthiophen-2-yl)methyl]benzimidazol-2-amine

C13H12ClN3S — CID 104837059

IUPAC4-chloro-1-[(5-methylthiophen-2-yl)methyl]benzimidazol-2-amine
SMILESCc1ccc(Cn2c(N)nc3c(Cl)cccc32)s1
InChIInChI=1S/C13H12ClN3S/c1-8-5-6-9(18-8)7-17-11-4-2-3-10(14)12(11)16-13(17)15/h2-6H,7H2,1H3,(H2,15,16)
InChIKeyDMBLWLVWJGMQRI-UHFFFAOYSA-N
MW277.78 g/mol
LogP3.69
Rot. Bonds2

About 4-chloro-1-[(5-methylthiophen-2-yl)methyl]benzimidazol-2-amine

4-chloro-1-[(5-methylthiophen-2-yl)methyl]benzimidazol-2-amine (PubChem CID 104837059) has the molecular formula C13H12ClN3S and a molecular weight of 277.78 g/mol. Its IUPAC name is 4-chloro-1-[(5-methylthiophen-2-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-1-[(5-methylthiophen-2-yl)methyl]benzimidazol-2-amine
PubChem CID104837059
Molecular FormulaC13H12ClN3S
Molecular Weight277.78 g/mol
Exact Mass277.04
IUPAC Name4-chloro-1-[(5-methylthiophen-2-yl)methyl]benzimidazol-2-amine
SMILESCc1ccc(Cn2c(N)nc3c(Cl)cccc32)s1
InChIInChI=1S/C13H12ClN3S/c1-8-5-6-9(18-8)7-17-11-4-2-3-10(14)12(11)16-13(17)15/h2-6H,7H2,1H3,(H2,15,16)
InChIKeyDMBLWLVWJGMQRI-UHFFFAOYSA-N
XLogP3.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(chloromethyl)-1-[(5-methylthiophen-2-yl)methyl]benzimidazole
CID 113459146
4-chloro-1-(thiophen-2-ylmethyl)benzimidazol-2-amine
CID 104836904
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-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 104837197
4-chloro-2-(2-chloroethyl)-1-[(4,5-dimethylthiophen-2-yl)methyl]benzimidazole
CID 104838317
4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008445
4-chloro-2-(1-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]benzimidazole
CID 106005420
2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide
CID 104836765
4-chloro-1-[(2,5-difluorophenyl)methyl]benzimidazol-2-amine
CID 104837124
5-[[4-chloro-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-2-methyl-1,3-thiazole
CID 104837870

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(5-methylthiophen-2-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 4-chloro-1-[(5-methylthiophen-2-yl)methyl]benzimidazol-2-amine (CID 104837059) is 4-chloro-1-[(5-methylthiophen-2-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-1-[(5-methylthiophen-2-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 4-chloro-1-[(5-methylthiophen-2-yl)methyl]benzimidazol-2-amine is Cc1ccc(Cn2c(N)nc3c(Cl)cccc32)s1.
What is the InChIKey of 4-chloro-1-[(5-methylthiophen-2-yl)methyl]benzimidazol-2-amine?
The InChIKey is DMBLWLVWJGMQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3S/c1-8-5-6-9(18-8)7-17-11-4-2-3-10(14)12(11)16-13(17)15/h2-6H,7H2,1H3,(H2,15,16).
What are the key properties of 4-chloro-1-[(5-methylthiophen-2-yl)methyl]benzimidazol-2-amine?
4-chloro-1-[(5-methylthiophen-2-yl)methyl]benzimidazol-2-amine has a molecular weight of 277.78 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(5-methylthiophen-2-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 104837059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).