N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-[4-(hydroxymethyl)phenyl]benzimidazol-1-yl]propanamide

C33H45N3O2 — CID 155534068

IUPACN-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-[4-(hydroxymethyl)phenyl]benzimidazol-1-yl]propanamide
SMILESCCC1CCC(c2nc3ccc(-c4ccc(CO)cc4)cc3n2CCC(=O)N(CC)C2CCCCC2)CC1
InChIInChI=1S/C33H45N3O2/c1-3-24-10-16-27(17-11-24)33-34-30-19-18-28(26-14-12-25(23-37)13-15-26)22-31(30)36(33)21-20-32(38)35(4-2)29-8-6-5-7-9-29/h12-15,18-19,22,24,27,29,37H,3-11,16-17,20-21,23H2,1-2H3
InChIKeySCDDKUQULLYLMF-UHFFFAOYSA-N
MW515.74 g/mol
LogP7.45
Rot. Bonds9

About N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-[4-(hydroxymethyl)phenyl]benzimidazol-1-yl]propanamide

N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-[4-(hydroxymethyl)phenyl]benzimidazol-1-yl]propanamide (PubChem CID 155534068) has the molecular formula C33H45N3O2 and a molecular weight of 515.74 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-[4-(hydroxymethyl)phenyl]benzimidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-[4-(hydroxymethyl)phenyl]benzimidazol-1-yl]propanamide
PubChem CID155534068
Molecular FormulaC33H45N3O2
Molecular Weight515.74 g/mol
Exact Mass515.35
IUPAC NameN-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-[4-(hydroxymethyl)phenyl]benzimidazol-1-yl]propanamide
SMILESCCC1CCC(c2nc3ccc(-c4ccc(CO)cc4)cc3n2CCC(=O)N(CC)C2CCCCC2)CC1
InChIInChI=1S/C33H45N3O2/c1-3-24-10-16-27(17-11-24)33-34-30-19-18-28(26-14-12-25(23-37)13-15-26)22-31(30)36(33)21-20-32(38)35(4-2)29-8-6-5-7-9-29/h12-15,18-19,22,24,27,29,37H,3-11,16-17,20-21,23H2,1-2H3
InChIKeySCDDKUQULLYLMF-UHFFFAOYSA-N
XLogP7.45
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.74
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-(2-cyclohexyl-6-methylbenzimidazol-1-yl)-N-ethylpropanamide
CID 170097440
3-[4-bromo-2-(4-ethylcyclohexyl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide
CID 155556684
N-cyclohexyl-N-ethyl-3-[2-(4-propylcyclohexyl)imidazo[4,5-b]pyridin-1-yl]propanamide
CID 129276730
N-cyclohexyl-3-(2-cyclohexyl-4-methylbenzimidazol-1-yl)-N-ethylpropanamide
CID 170097444
N-cyclohexyl-3-(2-cyclohexyl-4-fluorobenzimidazol-1-yl)-N-ethylpropanamide
CID 170097361
ethyl 3-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]-5-methylbenzimidazol-2-yl]piperidine-1-carboxylate
CID 161101084
methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate
CID 129276836
tert-butyl 3-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]-5-fluorobenzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 129276865
tert-butyl 3-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]-5-fluorobenzimidazol-2-yl]piperidine-1-carboxylate
CID 129276347
2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid
CID 82773778
2-(6-chloro-2-cyclohexylbenzimidazol-1-yl)ethanol
CID 46308180
2-(2-cyclohexyl-1-propylbenzimidazol-5-yl)acetic acid
CID 82142102

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-[4-(hydroxymethyl)phenyl]benzimidazol-1-yl]propanamide?
The IUPAC name of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-[4-(hydroxymethyl)phenyl]benzimidazol-1-yl]propanamide (CID 155534068) is N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-[4-(hydroxymethyl)phenyl]benzimidazol-1-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-[4-(hydroxymethyl)phenyl]benzimidazol-1-yl]propanamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-[4-(hydroxymethyl)phenyl]benzimidazol-1-yl]propanamide is CCC1CCC(c2nc3ccc(-c4ccc(CO)cc4)cc3n2CCC(=O)N(CC)C2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-[4-(hydroxymethyl)phenyl]benzimidazol-1-yl]propanamide?
The InChIKey is SCDDKUQULLYLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45N3O2/c1-3-24-10-16-27(17-11-24)33-34-30-19-18-28(26-14-12-25(23-37)13-15-26)22-31(30)36(33)21-20-32(38)35(4-2)29-8-6-5-7-9-29/h12-15,18-19,22,24,27,29,37H,3-11,16-17,20-21,23H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-[4-(hydroxymethyl)phenyl]benzimidazol-1-yl]propanamide?
N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-[4-(hydroxymethyl)phenyl]benzimidazol-1-yl]propanamide has a molecular weight of 515.74 g/mol, XLogP of 7.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-[4-(hydroxymethyl)phenyl]benzimidazol-1-yl]propanamide is sourced from PubChem (CID 155534068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).