3-[5-bromo-2-(4-ethylcyclohexyl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide

C26H38BrN3O — CID 129276727

IUPAC3-[5-bromo-2-(4-ethylcyclohexyl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide
SMILESCCC1CCC(c2nc3cc(Br)ccc3n2CCC(=O)N(CC)C2CCCCC2)CC1
InChIInChI=1S/C26H38BrN3O/c1-3-19-10-12-20(13-11-19)26-28-23-18-21(27)14-15-24(23)30(26)17-16-25(31)29(4-2)22-8-6-5-7-9-22/h14-15,18-20,22H,3-13,16-17H2,1-2H3
InChIKeyDURMDPHHLCCREW-UHFFFAOYSA-N
MW488.51 g/mol
LogP7.05
Rot. Bonds7

About 3-[5-bromo-2-(4-ethylcyclohexyl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide

3-[5-bromo-2-(4-ethylcyclohexyl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide (PubChem CID 129276727) has the molecular formula C26H38BrN3O and a molecular weight of 488.51 g/mol. Its IUPAC name is 3-[5-bromo-2-(4-ethylcyclohexyl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide.

Molecular Properties

Compound Name3-[5-bromo-2-(4-ethylcyclohexyl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide
PubChem CID129276727
Molecular FormulaC26H38BrN3O
Molecular Weight488.51 g/mol
Exact Mass487.22
IUPAC Name3-[5-bromo-2-(4-ethylcyclohexyl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide
SMILESCCC1CCC(c2nc3cc(Br)ccc3n2CCC(=O)N(CC)C2CCCCC2)CC1
InChIInChI=1S/C26H38BrN3O/c1-3-19-10-12-20(13-11-19)26-28-23-18-21(27)14-15-24(23)30(26)17-16-25(31)29(4-2)22-8-6-5-7-9-22/h14-15,18-20,22H,3-13,16-17H2,1-2H3
InChIKeyDURMDPHHLCCREW-UHFFFAOYSA-N
XLogP7.05
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.51
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-1-(3-methyl-butyl)-1H-benzoimidazol-2-ylmethyl]-3-isopropyl-1,3-dihydro-benzoimidazol-2-one
CID 20813998
2-(4-Bromophenyl)-1-{3-[4-(3-acetylaminophenyl)piperidin-1-yl]propyl}-1h-benzimidazole
CID 25116079
US11141403, Example 8
CID 129251069
US11141403, Example 24
CID 129251297
US11141403, Example 11
CID 129276486
US11141403, Example 10
CID 129276488
US11141403, Example 57
CID 129276738
US11141403, Example 58
CID 129276742
US11141403, Example 35
CID 129276832
US11141403, Example 9
CID 129276834
US11141403, Example 6
CID 129276837
US11141403, Example 39
CID 129277016

Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-2-(4-ethylcyclohexyl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide?
The IUPAC name of 3-[5-bromo-2-(4-ethylcyclohexyl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide (CID 129276727) is 3-[5-bromo-2-(4-ethylcyclohexyl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide.
What is the SMILES notation for 3-[5-bromo-2-(4-ethylcyclohexyl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide?
The canonical SMILES for 3-[5-bromo-2-(4-ethylcyclohexyl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide is CCC1CCC(c2nc3cc(Br)ccc3n2CCC(=O)N(CC)C2CCCCC2)CC1.
What is the InChIKey of 3-[5-bromo-2-(4-ethylcyclohexyl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide?
The InChIKey is DURMDPHHLCCREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38BrN3O/c1-3-19-10-12-20(13-11-19)26-28-23-18-21(27)14-15-24(23)30(26)17-16-25(31)29(4-2)22-8-6-5-7-9-22/h14-15,18-20,22H,3-13,16-17H2,1-2H3.
What are the key properties of 3-[5-bromo-2-(4-ethylcyclohexyl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide?
3-[5-bromo-2-(4-ethylcyclohexyl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide has a molecular weight of 488.51 g/mol, XLogP of 7.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromo-2-(4-ethylcyclohexyl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide is sourced from PubChem (CID 129276727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).