2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid;4-methyl-1,3-thiazol-2-amine

C18H14Cl2N4O2S — CID 172685279

IUPAC2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid;4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(N)n1.O=C(O)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C14H8Cl2N2O2.C4H6N2S/c15-8-2-1-3-9(16)12(8)13-17-10-5-4-7(14(19)20)6-11(10)18-13;1-3-2-7-4(5)6-3/h1-6H,(H,17,18)(H,19,20);2H,1H3,(H2,5,6)
InChIKeyAYKZKDNCQAOCRN-UHFFFAOYSA-N
MW421.31 g/mol
LogP5.27
Rot. Bonds2

About 2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid;4-methyl-1,3-thiazol-2-amine

2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid;4-methyl-1,3-thiazol-2-amine (PubChem CID 172685279) has the molecular formula C18H14Cl2N4O2S and a molecular weight of 421.31 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid;4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid;4-methyl-1,3-thiazol-2-amine
PubChem CID172685279
Molecular FormulaC18H14Cl2N4O2S
Molecular Weight421.31 g/mol
Exact Mass420.02
IUPAC Name2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid;4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(N)n1.O=C(O)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C14H8Cl2N2O2.C4H6N2S/c15-8-2-1-3-9(16)12(8)13-17-10-5-4-7(14(19)20)6-11(10)18-13;1-3-2-7-4(5)6-3/h1-6H,(H,17,18)(H,19,20);2H,1H3,(H2,5,6)
InChIKeyAYKZKDNCQAOCRN-UHFFFAOYSA-N
XLogP5.27
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.31
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 143659491
3-[[2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carbonyl]amino]benzoic acid
CID 68935401
2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
CID 43349288
2-(2,6-dichlorophenyl)-6-prop-1-en-2-yl-1H-benzimidazole
CID 143659620
2-(2,6-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
CID 160994973
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone
CID 58156251
2-(2,6-dichlorophenyl)-N-methyl-N-(3-methylphenyl)-3H-benzimidazole-5-carboxamide
CID 143659642
2-(4-aminophenyl)-3H-benzimidazole-5-carboxylic acid
CID 774873
1-[2-(2-chloro-6-methylphenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone
CID 58156387
2-(2,6-dinitrophenyl)-3H-benzimidazole-5-carboxylic acid
CID 87487997
2-[3-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 2728750
2-(3-chlorophenyl)-1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 58156336

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid;4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid;4-methyl-1,3-thiazol-2-amine (CID 172685279) is 2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid;4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid;4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid;4-methyl-1,3-thiazol-2-amine is Cc1csc(N)n1.O=C(O)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid;4-methyl-1,3-thiazol-2-amine?
The InChIKey is AYKZKDNCQAOCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O2.C4H6N2S/c15-8-2-1-3-9(16)12(8)13-17-10-5-4-7(14(19)20)6-11(10)18-13;1-3-2-7-4(5)6-3/h1-6H,(H,17,18)(H,19,20);2H,1H3,(H2,5,6).
What are the key properties of 2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid;4-methyl-1,3-thiazol-2-amine?
2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid;4-methyl-1,3-thiazol-2-amine has a molecular weight of 421.31 g/mol, XLogP of 5.27, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid;4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 172685279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).