[4-(6-chloro-1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine

C11H9ClN4S — CID 66380670

IUPAC[4-(6-chloro-1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(-c2nc3ccc(Cl)cc3[nH]2)cs1
InChIInChI=1S/C11H9ClN4S/c12-6-1-2-7-8(3-6)16-11(15-7)9-5-17-10(4-13)14-9/h1-3,5H,4,13H2,(H,15,16)
InChIKeyAONINDCTQLHMCD-UHFFFAOYSA-N
MW264.74 g/mol
LogP2.80
Rot. Bonds2

About [4-(6-chloro-1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine

[4-(6-chloro-1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine (PubChem CID 66380670) has the molecular formula C11H9ClN4S and a molecular weight of 264.74 g/mol. Its IUPAC name is [4-(6-chloro-1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(6-chloro-1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine
PubChem CID66380670
Molecular FormulaC11H9ClN4S
Molecular Weight264.74 g/mol
Exact Mass264.02
IUPAC Name[4-(6-chloro-1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(-c2nc3ccc(Cl)cc3[nH]2)cs1
InChIInChI=1S/C11H9ClN4S/c12-6-1-2-7-8(3-6)16-11(15-7)9-5-17-10(4-13)14-9/h1-3,5H,4,13H2,(H,15,16)
InChIKeyAONINDCTQLHMCD-UHFFFAOYSA-N
XLogP2.80
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(6-chloro-1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(6-chloro-1H-benzimidazol-2-yl)thiadiazole
CID 60980804
[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine
CID 3299475
6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole
CID 64722696
2-[2-[2-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-1,3-thiazol-4-yl]-3H-benzimidazol-5-yl]ethanol
CID 59786404
6-chloro-2-thieno[3,2-b]thiophen-5-yl-1H-benzimidazole
CID 80744714
4-(1H-benzimidazol-2-yl)-2-(2,2-dimethylpropyl)-1,3-thiazole
CID 123159437
[2-(5-chloro-2-fluorophenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004467
[2-(2,5-dichlorophenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004389
1-[2-[2-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-1,3-thiazol-4-yl]-3H-benzimidazol-5-yl]-N,N-dimethylmethanamine;hydrochloride
CID 69322666
6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole
CID 60646513
2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride
CID 46736450
3-(6-chloro-1H-benzimidazol-2-yl)-5-ethylthiophen-2-amine
CID 63614668

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(6-chloro-1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine (CID 66380670) is [4-(6-chloro-1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(6-chloro-1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(6-chloro-1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine is NCc1nc(-c2nc3ccc(Cl)cc3[nH]2)cs1.
What is the InChIKey of [4-(6-chloro-1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is AONINDCTQLHMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4S/c12-6-1-2-7-8(3-6)16-11(15-7)9-5-17-10(4-13)14-9/h1-3,5H,4,13H2,(H,15,16).
What are the key properties of [4-(6-chloro-1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine?
[4-(6-chloro-1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 264.74 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 66380670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).