1-Cyclohexyl-2-(5-ethyl-thiophen-2-yl)-1H-benzoimidazole-5-carboxylic acid

C20H22N2O2S — CID 44386464

IUPAC1-cyclohexyl-2-(5-ethylthiophen-2-yl)benzimidazole-5-carboxylic acid
SMILESCCC1=CC=C(S1)C2=NC3=C(N2C4CCCCC4)C=CC(=C3)C(=O)O
InChIInChI=1S/C20H22N2O2S/c1-2-15-9-11-18(25-15)19-21-16-12-13(20(23)24)8-10-17(16)22(19)14-6-4-3-5-7-14/h8-12,14H,2-7H2,1H3,(H,23,24)
InChIKeyFZWSFPWJOVMPFX-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.90
Rot. Bonds4

About 1-Cyclohexyl-2-(5-ethyl-thiophen-2-yl)-1H-benzoimidazole-5-carboxylic acid

1-Cyclohexyl-2-(5-ethyl-thiophen-2-yl)-1H-benzoimidazole-5-carboxylic acid (PubChem CID 44386464) has the molecular formula C20H22N2O2S and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-cyclohexyl-2-(5-ethylthiophen-2-yl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-Cyclohexyl-2-(5-ethyl-thiophen-2-yl)-1H-benzoimidazole-5-carboxylic acid
PubChem CID44386464
Molecular FormulaC20H22N2O2S
Molecular Weight354.50 g/mol
Exact Mass354.14
IUPAC Name1-cyclohexyl-2-(5-ethylthiophen-2-yl)benzimidazole-5-carboxylic acid
SMILESCCC1=CC=C(S1)C2=NC3=C(N2C4CCCCC4)C=CC(=C3)C(=O)O
InChIInChI=1S/C20H22N2O2S/c1-2-15-9-11-18(25-15)19-21-16-12-13(20(23)24)8-10-17(16)22(19)14-6-4-3-5-7-14/h8-12,14H,2-7H2,1H3,(H,23,24)
InChIKeyFZWSFPWJOVMPFX-UHFFFAOYSA-N
XLogP4.90
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity482

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-Cyclohexyl-2-(5-ethyl-thiophen-2-yl)-1H-benzoimidazole-5-carboxylic acid with MolForge

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Related Compounds

1-Isopropyl-1H-benzoimidazole-5-carboxylic acid
CID 4712703
2-(Benzoylamino)-1-(3-phenylpropyl)-1H-benzimidazole-5-carboxylic acid
CID 73755260
2-Methyl-1-phenyl-1H-benzimidazole-5-carboxylic acid
CID 619926
Cmf-019
CID 73442763
1-Cyclohexylbenzodiazole-5-carboxylic acid
CID 513903
1-Methyl-1H-benzimidazole-5-carboxylic acid
CID 4913063
1-Phenyl-1H-benzoimidazole-5-carboxylic acid
CID 5328468
4-[(1-Benzyl-1H-benzoimidazol-2-ylmethyl)-amino]-benzoic acid
CID 1097871
1-(3,5-Dimethylphenyl)-2-methyl-1H-benzimidazole-5-carboxylic acid
CID 5048736
(E)-3-[4-[[1-[[1-cyclohexyl-2-(3-thienyl)benzimidazole-5-carbonyl]amino]cyclobutanecarbonyl]amino]phenyl]prop-2-enoic acid
CID 46881940
(E)-3-[4-[[1-[[1-cyclohexyl-2-(2-thienyl)benzimidazole-5-carbonyl]amino]cyclobutanecarbonyl]amino]phenyl]prop-2-enoic acid
CID 46881942
1-Cyclohexyl-2-methyl-1H-benzoimidazole-5-carboxylic acid
CID 744874

Frequently Asked Questions

What is the IUPAC name of 1-Cyclohexyl-2-(5-ethyl-thiophen-2-yl)-1H-benzoimidazole-5-carboxylic acid?
The IUPAC name of 1-Cyclohexyl-2-(5-ethyl-thiophen-2-yl)-1H-benzoimidazole-5-carboxylic acid (CID 44386464) is 1-cyclohexyl-2-(5-ethylthiophen-2-yl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-Cyclohexyl-2-(5-ethyl-thiophen-2-yl)-1H-benzoimidazole-5-carboxylic acid?
The canonical SMILES for 1-Cyclohexyl-2-(5-ethyl-thiophen-2-yl)-1H-benzoimidazole-5-carboxylic acid is CCC1=CC=C(S1)C2=NC3=C(N2C4CCCCC4)C=CC(=C3)C(=O)O.
What is the InChIKey of 1-Cyclohexyl-2-(5-ethyl-thiophen-2-yl)-1H-benzoimidazole-5-carboxylic acid?
The InChIKey is FZWSFPWJOVMPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-2-15-9-11-18(25-15)19-21-16-12-13(20(23)24)8-10-17(16)22(19)14-6-4-3-5-7-14/h8-12,14H,2-7H2,1H3,(H,23,24).
What are the key properties of 1-Cyclohexyl-2-(5-ethyl-thiophen-2-yl)-1H-benzoimidazole-5-carboxylic acid?
1-Cyclohexyl-2-(5-ethyl-thiophen-2-yl)-1H-benzoimidazole-5-carboxylic acid has a molecular weight of 354.50 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Cyclohexyl-2-(5-ethyl-thiophen-2-yl)-1H-benzoimidazole-5-carboxylic acid is sourced from PubChem (CID 44386464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).