N-[cyclopropyl(phenyl)methyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide

C22H25N3O2 — CID 18131666

IUPACN-[cyclopropyl(phenyl)methyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCCn1c(=O)n(CCC(=O)NC(c2ccccc2)C2CC2)c2ccccc21
InChIInChI=1S/C22H25N3O2/c1-2-24-18-10-6-7-11-19(18)25(22(24)27)15-14-20(26)23-21(17-12-13-17)16-8-4-3-5-9-16/h3-11,17,21H,2,12-15H2,1H3,(H,23,26)
InChIKeyJSBWCQNOEXXAPC-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.48
Rot. Bonds7

About N-[cyclopropyl(phenyl)methyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide

N-[cyclopropyl(phenyl)methyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide (PubChem CID 18131666) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
PubChem CID18131666
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[cyclopropyl(phenyl)methyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCCn1c(=O)n(CCC(=O)NC(c2ccccc2)C2CC2)c2ccccc21
InChIInChI=1S/C22H25N3O2/c1-2-24-18-10-6-7-11-19(18)25(22(24)27)15-14-20(26)23-21(17-12-13-17)16-8-4-3-5-9-16/h3-11,17,21H,2,12-15H2,1H3,(H,23,26)
InChIKeyJSBWCQNOEXXAPC-UHFFFAOYSA-N
XLogP3.48
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-bromophenyl)propyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 18277506
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 55713351
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 18115505
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide
CID 16573526
N-(2-amino-1-cyclopropylethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride
CID 119615322
3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide
CID 55953573
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 55732676
N-(4-butan-2-ylphenyl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 16574720
N-[(S)-cyclopropyl(phenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 31407290
N-[(R)-cyclopropyl(phenyl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 99797989
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
CID 55866691
3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide
CID 14208386

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide (CID 18131666) is N-[cyclopropyl(phenyl)methyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide is CCn1c(=O)n(CCC(=O)NC(c2ccccc2)C2CC2)c2ccccc21.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?
The InChIKey is JSBWCQNOEXXAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-2-24-18-10-6-7-11-19(18)25(22(24)27)15-14-20(26)23-21(17-12-13-17)16-8-4-3-5-9-16/h3-11,17,21H,2,12-15H2,1H3,(H,23,26).
What are the key properties of N-[cyclopropyl(phenyl)methyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?
N-[cyclopropyl(phenyl)methyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide has a molecular weight of 363.46 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide is sourced from PubChem (CID 18131666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).