3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide

C31H29N3O2 — CID 46290493

IUPAC3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(CCc3nc4ccccc4n3-c3ccccc3)cc2)cc1
InChIInChI=1S/C31H29N3O2/c1-36-27-19-13-24(14-20-27)16-22-31(35)32-25-17-11-23(12-18-25)15-21-30-33-28-9-5-6-10-29(28)34(30)26-7-3-2-4-8-26/h2-14,17-20H,15-16,21-22H2,1H3,(H,32,35)
InChIKeyGUEZGWITHSNDBA-UHFFFAOYSA-N
MW475.59 g/mol
LogP6.39
Rot. Bonds9

About 3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide

3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide (PubChem CID 46290493) has the molecular formula C31H29N3O2 and a molecular weight of 475.59 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide
PubChem CID46290493
Molecular FormulaC31H29N3O2
Molecular Weight475.59 g/mol
Exact Mass475.23
IUPAC Name3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(CCc3nc4ccccc4n3-c3ccccc3)cc2)cc1
InChIInChI=1S/C31H29N3O2/c1-36-27-19-13-24(14-20-27)16-22-31(35)32-25-17-11-23(12-18-25)15-21-30-33-28-9-5-6-10-29(28)34(30)26-7-3-2-4-8-26/h2-14,17-20H,15-16,21-22H2,1H3,(H,32,35)
InChIKeyGUEZGWITHSNDBA-UHFFFAOYSA-N
XLogP6.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-phenoxy-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 92866618
N-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide
CID 17447565
3-(4-methoxyphenyl)-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7577823
1-(2-methoxy-5-methylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382413
N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 46290501
N-(1-ethylpyrazol-4-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 60508285
N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]pyrazine-2-carboxamide
CID 46290496
1-(2,5-dimethylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382396
1-phenyl-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382224
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 17359922
N-(4-ethoxyphenyl)-2-[2-(2-phenylethyl)benzimidazol-1-yl]acetamide
CID 17031709
2-(4-methoxyphenyl)-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]acetamide
CID 46328909

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide (CID 46290493) is 3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide is COc1ccc(CCC(=O)Nc2ccc(CCc3nc4ccccc4n3-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide?
The InChIKey is GUEZGWITHSNDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O2/c1-36-27-19-13-24(14-20-27)16-22-31(35)32-25-17-11-23(12-18-25)15-21-30-33-28-9-5-6-10-29(28)34(30)26-7-3-2-4-8-26/h2-14,17-20H,15-16,21-22H2,1H3,(H,32,35).
What are the key properties of 3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide?
3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide has a molecular weight of 475.59 g/mol, XLogP of 6.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide is sourced from PubChem (CID 46290493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).