4-chloro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-amine

C12H11ClN4S — CID 104836999

IUPAC4-chloro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-amine
SMILESCc1nc(Cn2c(N)nc3c(Cl)cccc32)cs1
InChIInChI=1S/C12H11ClN4S/c1-7-15-8(6-18-7)5-17-10-4-2-3-9(13)11(10)16-12(17)14/h2-4,6H,5H2,1H3,(H2,14,16)
InChIKeyGRGOZWWDXNDBAC-UHFFFAOYSA-N
MW278.77 g/mol
LogP3.09
Rot. Bonds2

About 4-chloro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-amine

4-chloro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-amine (PubChem CID 104836999) has the molecular formula C12H11ClN4S and a molecular weight of 278.77 g/mol. Its IUPAC name is 4-chloro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-amine
PubChem CID104836999
Molecular FormulaC12H11ClN4S
Molecular Weight278.77 g/mol
Exact Mass278.04
IUPAC Name4-chloro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-amine
SMILESCc1nc(Cn2c(N)nc3c(Cl)cccc32)cs1
InChIInChI=1S/C12H11ClN4S/c1-7-15-8(6-18-7)5-17-10-4-2-3-9(13)11(10)16-12(17)14/h2-4,6H,5H2,1H3,(H2,14,16)
InChIKeyGRGOZWWDXNDBAC-UHFFFAOYSA-N
XLogP3.09
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.77
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-2-methyl-1,3-thiazole
CID 104837876
4-chloro-1-[(5-methylthiophen-2-yl)methyl]benzimidazol-2-amine
CID 104837059
4-chloro-1-(thiophen-2-ylmethyl)benzimidazol-2-amine
CID 104836904
4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine
CID 106900318
4-ethoxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine
CID 106035762
7-chloro-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione
CID 106034441
4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 104837197
4-chloro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
CID 106419843
4-chloro-1-[(2,5-difluorophenyl)methyl]benzimidazol-2-amine
CID 104837124
4-chloro-1-(2-chloro-6-methylphenyl)benzimidazol-2-amine
CID 104837184
4-chloro-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione
CID 106034436
3-(2-amino-4-chlorobenzimidazol-1-yl)propanoic acid
CID 84736899

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 4-chloro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-amine (CID 104836999) is 4-chloro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 4-chloro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-amine is Cc1nc(Cn2c(N)nc3c(Cl)cccc32)cs1.
What is the InChIKey of 4-chloro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-amine?
The InChIKey is GRGOZWWDXNDBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4S/c1-7-15-8(6-18-7)5-17-10-4-2-3-9(13)11(10)16-12(17)14/h2-4,6H,5H2,1H3,(H2,14,16).
What are the key properties of 4-chloro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-amine?
4-chloro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-amine has a molecular weight of 278.77 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 104836999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).