4-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexylbenzamide

C22H25N3O — CID 50789505

IUPAC4-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexylbenzamide
SMILESO=C(NC1CCCCC1)c1ccc(CCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H25N3O/c26-22(23-18-6-2-1-3-7-18)17-13-10-16(11-14-17)12-15-21-24-19-8-4-5-9-20(19)25-21/h4-5,8-11,13-14,18H,1-3,6-7,12,15H2,(H,23,26)(H,24,25)
InChIKeyCQEYAMHITUJDAU-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.41
Rot. Bonds5

About 4-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexylbenzamide

4-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexylbenzamide (PubChem CID 50789505) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name4-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexylbenzamide
PubChem CID50789505
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name4-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexylbenzamide
SMILESO=C(NC1CCCCC1)c1ccc(CCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H25N3O/c26-22(23-18-6-2-1-3-7-18)17-13-10-16(11-14-17)12-15-21-24-19-8-4-5-9-20(19)25-21/h4-5,8-11,13-14,18H,1-3,6-7,12,15H2,(H,23,26)(H,24,25)
InChIKeyCQEYAMHITUJDAU-UHFFFAOYSA-N
XLogP4.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(1H-benzimidazol-2-yl)ethyl]-N-(3-ethoxypropyl)benzamide
CID 50789489
N-cyclohexyl-4-(2-pyridin-4-ylethyl)benzamide
CID 67802758
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-cyclohexyl-2-methylguanidine;hydroiodide
CID 110958206
4-[6-(1H-benzimidazol-2-ylmethylamino)-9-cyclohexylpurin-2-yl]-N-cyclopropylbenzamide
CID 117081549
1-(1H-benzimidazol-2-ylmethyl)-3-cyclopentyl-1-methylurea
CID 38220835
1-[3-(1H-benzimidazol-2-yl)propyl]-3-cyclohexyl-2-methylguanidine;hydroiodide
CID 110958228
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 20933767
N-(1H-benzimidazol-2-ylmethyl)-2-[4-(cyclopropylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 117092012
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide
CID 154840886
3-(1H-benzimidazol-2-yl)-N-(4-hydroxycyclohexyl)propanamide
CID 43393264
4-(acetamidomethyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 17394585
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-cyclohexylacetamide
CID 20933774

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexylbenzamide?
The IUPAC name of 4-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexylbenzamide (CID 50789505) is 4-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexylbenzamide.
What is the SMILES notation for 4-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexylbenzamide?
The canonical SMILES for 4-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexylbenzamide is O=C(NC1CCCCC1)c1ccc(CCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexylbenzamide?
The InChIKey is CQEYAMHITUJDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c26-22(23-18-6-2-1-3-7-18)17-13-10-16(11-14-17)12-15-21-24-19-8-4-5-9-20(19)25-21/h4-5,8-11,13-14,18H,1-3,6-7,12,15H2,(H,23,26)(H,24,25).
What are the key properties of 4-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexylbenzamide?
4-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexylbenzamide has a molecular weight of 347.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexylbenzamide is sourced from PubChem (CID 50789505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).