N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-methylpropanamide

C21H31N3O — CID 955337

IUPACN-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1nc2ccccc2n1CCC1CCCCC1
InChIInChI=1S/C21H31N3O/c1-16(2)21(25)22-14-12-20-23-18-10-6-7-11-19(18)24(20)15-13-17-8-4-3-5-9-17/h6-7,10-11,16-17H,3-5,8-9,12-15H2,1-2H3,(H,22,25)
InChIKeyZINDADNBOCUNCM-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.32
Rot. Bonds7

About N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-methylpropanamide

N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-methylpropanamide (PubChem CID 955337) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-methylpropanamide
PubChem CID955337
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC NameN-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1nc2ccccc2n1CCC1CCCCC1
InChIInChI=1S/C21H31N3O/c1-16(2)21(25)22-14-12-20-23-18-10-6-7-11-19(18)24(20)15-13-17-8-4-3-5-9-17/h6-7,10-11,16-17H,3-5,8-9,12-15H2,1-2H3,(H,22,25)
InChIKeyZINDADNBOCUNCM-UHFFFAOYSA-N
XLogP4.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16979922
N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964275
N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-ethylbutanamide
CID 16988504
N-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]pyridine-4-carboxamide
CID 16966057
2-methyl-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]propanamide
CID 955336
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970632
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966543
N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-methoxybenzamide
CID 16990124
methyl 2-[2-[2-(2-methylpropanoylamino)ethyl]benzimidazol-1-yl]acetate
CID 16974953
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-4-fluorobenzamide
CID 17008872
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974025
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007291

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-methylpropanamide (CID 955337) is N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCc1nc2ccccc2n1CCC1CCCCC1.
What is the InChIKey of N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-methylpropanamide?
The InChIKey is ZINDADNBOCUNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-16(2)21(25)22-14-12-20-23-18-10-6-7-11-19(18)24(20)15-13-17-8-4-3-5-9-17/h6-7,10-11,16-17H,3-5,8-9,12-15H2,1-2H3,(H,22,25).
What are the key properties of N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-methylpropanamide?
N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-methylpropanamide has a molecular weight of 341.50 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 955337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).