4-(3-chlorophenyl)-2-[6-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide

C26H29ClN6O2S — CID 46831769

IUPAC4-(3-chlorophenyl)-2-[6-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide
SMILESCN(CCCN1CCOCC1)Cc1ccc2ncn(-c3nc(-c4cccc(Cl)c4)c(C(N)=O)s3)c2c1
InChIInChI=1S/C26H29ClN6O2S/c1-31(8-3-9-32-10-12-35-13-11-32)16-18-6-7-21-22(14-18)33(17-29-21)26-30-23(24(36-26)25(28)34)19-4-2-5-20(27)15-19/h2,4-7,14-15,17H,3,8-13,16H2,1H3,(H2,28,34)
InChIKeyCNGCTUNHGYKSON-UHFFFAOYSA-N
MW525.08 g/mol
LogP4.06
Rot. Bonds9

About 4-(3-chlorophenyl)-2-[6-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide

4-(3-chlorophenyl)-2-[6-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 46831769) has the molecular formula C26H29ClN6O2S and a molecular weight of 525.08 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-[6-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-[6-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID46831769
Molecular FormulaC26H29ClN6O2S
Molecular Weight525.08 g/mol
Exact Mass524.18
IUPAC Name4-(3-chlorophenyl)-2-[6-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide
SMILESCN(CCCN1CCOCC1)Cc1ccc2ncn(-c3nc(-c4cccc(Cl)c4)c(C(N)=O)s3)c2c1
InChIInChI=1S/C26H29ClN6O2S/c1-31(8-3-9-32-10-12-35-13-11-32)16-18-6-7-21-22(14-18)33(17-29-21)26-30-23(24(36-26)25(28)34)19-4-2-5-20(27)15-19/h2,4-7,14-15,17H,3,8-13,16H2,1H3,(H2,28,34)
InChIKeyCNGCTUNHGYKSON-UHFFFAOYSA-N
XLogP4.06
TPSA89.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.08
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(3-chlorophenyl)-2-[6-(4-morpholin-4-ylbutoxy)benzimidazol-1-yl]-1,3-thiazole-5-carboxamide
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CID 46834902
4-(3-chlorophenyl)-2-[5-[(4-methylpiperazin-1-yl)methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxylic acid
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4-(3-chlorophenyl)-2-(5,6-dimethoxybenzimidazol-1-yl)-1,3-thiazole-5-carboxylic acid
CID 23654019
2-(6-chlorobenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid
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4-(3-chlorophenyl)-2-[5-[2-(4-methylpiperazin-1-yl)ethyl]-2-nitroanilino]-1,3-thiazole-5-carboxamide
CID 86642813
3-[[methyl(2-morpholin-4-ylethyl)amino]methyl]benzenecarbothioamide
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CID 25305370
2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxamide
CID 16658823
N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(4-phenylphenyl)acetamide;hydrochloride
CID 121047708
2-(4-chlorophenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 29070577
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CID 29071438

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-[6-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-2-[6-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide (CID 46831769) is 4-(3-chlorophenyl)-2-[6-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-2-[6-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-2-[6-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide is CN(CCCN1CCOCC1)Cc1ccc2ncn(-c3nc(-c4cccc(Cl)c4)c(C(N)=O)s3)c2c1.
What is the InChIKey of 4-(3-chlorophenyl)-2-[6-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is CNGCTUNHGYKSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN6O2S/c1-31(8-3-9-32-10-12-35-13-11-32)16-18-6-7-21-22(14-18)33(17-29-21)26-30-23(24(36-26)25(28)34)19-4-2-5-20(27)15-19/h2,4-7,14-15,17H,3,8-13,16H2,1H3,(H2,28,34).
What are the key properties of 4-(3-chlorophenyl)-2-[6-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide?
4-(3-chlorophenyl)-2-[6-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 525.08 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-[6-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46831769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).