2-(2-cyclohexyloxyphenyl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide

C23H22N4O2S — CID 58278919

IUPAC2-(2-cyclohexyloxyphenyl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2[nH]c(-c3ccccc3OC3CCCCC3)nc12
InChIInChI=1S/C23H22N4O2S/c28-22(27-23-24-13-14-30-23)17-10-6-11-18-20(17)26-21(25-18)16-9-4-5-12-19(16)29-15-7-2-1-3-8-15/h4-6,9-15H,1-3,7-8H2,(H,25,26)(H,24,27,28)
InChIKeyKWTMBIWAQOUHSW-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.65
Rot. Bonds5

About 2-(2-cyclohexyloxyphenyl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide

2-(2-cyclohexyloxyphenyl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 58278919) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-(2-cyclohexyloxyphenyl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyclohexyloxyphenyl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID58278919
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name2-(2-cyclohexyloxyphenyl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2[nH]c(-c3ccccc3OC3CCCCC3)nc12
InChIInChI=1S/C23H22N4O2S/c28-22(27-23-24-13-14-30-23)17-10-6-11-18-20(17)26-21(25-18)16-9-4-5-12-19(16)29-15-7-2-1-3-8-15/h4-6,9-15H,1-3,7-8H2,(H,25,26)(H,24,27,28)
InChIKeyKWTMBIWAQOUHSW-UHFFFAOYSA-N
XLogP5.65
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-thiazol-2-ylmethyl)-2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide
CID 25175138
2-(4-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 25192217
N-(1,3-thiazol-2-ylmethyl)-3-[6-[2-(trifluoromethyl)phenoxy]-1H-benzimidazol-2-yl]benzamide
CID 71568069
1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(1,3-thiazol-2-yl)benzimidazole-5-carboxamide
CID 24779707
Srtcx1003
CID 75124302
4-(4-fluorophenyl)-2-(4-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide
CID 21703719
5-(4-fluorophenyl)-2-(4-(3-dimethylaminopropyloxy)phenyl)-N-(2-thiazolyl)imidazole-4-carboxamide
CID 21703877
4-(4-fluorophenyl)-2-[4-(2-methoxyethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide
CID 21704061
N-(5-fluoro-1,3-benzothiazol-2-yl)-3-(2-methyl-1H-imidazol-5-yl)-2-phenylmethoxybenzamide
CID 57109678
2-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58278715
2-[4-[(2S)-2,3-dihydroxypropoxy]-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58278729
2-[4-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58278809

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyloxyphenyl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(2-cyclohexyloxyphenyl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide (CID 58278919) is 2-(2-cyclohexyloxyphenyl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(2-cyclohexyloxyphenyl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(2-cyclohexyloxyphenyl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide is O=C(Nc1nccs1)c1cccc2[nH]c(-c3ccccc3OC3CCCCC3)nc12.
What is the InChIKey of 2-(2-cyclohexyloxyphenyl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is KWTMBIWAQOUHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c28-22(27-23-24-13-14-30-23)17-10-6-11-18-20(17)26-21(25-18)16-9-4-5-12-19(16)29-15-7-2-1-3-8-15/h4-6,9-15H,1-3,7-8H2,(H,25,26)(H,24,27,28).
What are the key properties of 2-(2-cyclohexyloxyphenyl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
2-(2-cyclohexyloxyphenyl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 5.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyloxyphenyl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58278919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).