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

C26H39N3O — CID 155562208

IUPACN-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)benzimidazol-1-yl]propanamide
SMILESCCC1CCC(c2nc3ccccc3n2CCC(=O)N(CC)C2CCCCC2)CC1
InChIInChI=1S/C26H39N3O/c1-3-20-14-16-21(17-15-20)26-27-23-12-8-9-13-24(23)29(26)19-18-25(30)28(4-2)22-10-6-5-7-11-22/h8-9,12-13,20-22H,3-7,10-11,14-19H2,1-2H3
InChIKeyNKVOOLWBSLFOPB-UHFFFAOYSA-N
MW409.62 g/mol
LogP6.29
Rot. Bonds7

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

N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)benzimidazol-1-yl]propanamide (PubChem CID 155562208) has the molecular formula C26H39N3O and a molecular weight of 409.62 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)benzimidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)benzimidazol-1-yl]propanamide
PubChem CID155562208
Molecular FormulaC26H39N3O
Molecular Weight409.62 g/mol
Exact Mass409.31
IUPAC NameN-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)benzimidazol-1-yl]propanamide
SMILESCCC1CCC(c2nc3ccccc3n2CCC(=O)N(CC)C2CCCCC2)CC1
InChIInChI=1S/C26H39N3O/c1-3-20-14-16-21(17-15-20)26-27-23-12-8-9-13-24(23)29(26)19-18-25(30)28(4-2)22-10-6-5-7-11-22/h8-9,12-13,20-22H,3-7,10-11,14-19H2,1-2H3
InChIKeyNKVOOLWBSLFOPB-UHFFFAOYSA-N
XLogP6.29
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.62
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)benzimidazol-1-yl]propanamide?
The IUPAC name of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)benzimidazol-1-yl]propanamide (CID 155562208) is N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)benzimidazol-1-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)benzimidazol-1-yl]propanamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)benzimidazol-1-yl]propanamide is CCC1CCC(c2nc3ccccc3n2CCC(=O)N(CC)C2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)benzimidazol-1-yl]propanamide?
The InChIKey is NKVOOLWBSLFOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O/c1-3-20-14-16-21(17-15-20)26-27-23-12-8-9-13-24(23)29(26)19-18-25(30)28(4-2)22-10-6-5-7-11-22/h8-9,12-13,20-22H,3-7,10-11,14-19H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)benzimidazol-1-yl]propanamide?
N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)benzimidazol-1-yl]propanamide has a molecular weight of 409.62 g/mol, XLogP of 6.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)benzimidazol-1-yl]propanamide is sourced from PubChem (CID 155562208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).