2-N-(4-chlorophenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole-2,4-diamine

C17H14ClN5S — CID 121352810

IUPAC2-N-(4-chlorophenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole-2,4-diamine
SMILESCc1ccc2nc(-c3sc(Nc4ccc(Cl)cc4)nc3N)[nH]c2c1
InChIInChI=1S/C17H14ClN5S/c1-9-2-7-12-13(8-9)22-16(21-12)14-15(19)23-17(24-14)20-11-5-3-10(18)4-6-11/h2-8H,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyFGMOJVUHEKXHKM-UHFFFAOYSA-N
MW355.85 g/mol
LogP4.97
Rot. Bonds3

About 2-N-(4-chlorophenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole-2,4-diamine

2-N-(4-chlorophenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole-2,4-diamine (PubChem CID 121352810) has the molecular formula C17H14ClN5S and a molecular weight of 355.85 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole-2,4-diamine
PubChem CID121352810
Molecular FormulaC17H14ClN5S
Molecular Weight355.85 g/mol
Exact Mass355.07
IUPAC Name2-N-(4-chlorophenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole-2,4-diamine
SMILESCc1ccc2nc(-c3sc(Nc4ccc(Cl)cc4)nc3N)[nH]c2c1
InChIInChI=1S/C17H14ClN5S/c1-9-2-7-12-13(8-9)22-16(21-12)14-15(19)23-17(24-14)20-11-5-3-10(18)4-6-11/h2-8H,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyFGMOJVUHEKXHKM-UHFFFAOYSA-N
XLogP4.97
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1H-benzimidazol-2-yl)-2-N-(2,4,6-trimethylphenyl)-1,3-thiazole-2,4-diamine
CID 130424081
2-(3-chloro-4-methylthiophen-2-yl)-6-methyl-1H-benzimidazole
CID 103402830
5-methyl-3-(6-methyl-1H-benzimidazol-2-yl)thiophen-2-amine
CID 55250119
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 159476815
CID 88572792
CID 88572792
5-(4-chlorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 122174355
6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430
6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
6-methyl-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922101
1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
CID 14688884
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole-2,4-diamine (CID 121352810) is 2-N-(4-chlorophenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole-2,4-diamine is Cc1ccc2nc(-c3sc(Nc4ccc(Cl)cc4)nc3N)[nH]c2c1.
What is the InChIKey of 2-N-(4-chlorophenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole-2,4-diamine?
The InChIKey is FGMOJVUHEKXHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5S/c1-9-2-7-12-13(8-9)22-16(21-12)14-15(19)23-17(24-14)20-11-5-3-10(18)4-6-11/h2-8H,19H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-N-(4-chlorophenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole-2,4-diamine?
2-N-(4-chlorophenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole-2,4-diamine has a molecular weight of 355.85 g/mol, XLogP of 4.97, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 121352810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).