N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide

C24H23N3O3 — CID 2091179

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1OC
InChIInChI=1S/C24H23N3O3/c1-29-21-13-7-16(15-22(21)30-2)8-14-23(28)25-18-11-9-17(10-12-18)24-26-19-5-3-4-6-20(19)27-24/h3-7,9-13,15H,8,14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyMLGQEZIFDFTRAB-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.82
Rot. Bonds7

About N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 2091179) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID2091179
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1OC
InChIInChI=1S/C24H23N3O3/c1-29-21-13-7-16(15-22(21)30-2)8-14-23(28)25-18-11-9-17(10-12-18)24-26-19-5-3-4-6-20(19)27-24/h3-7,9-13,15H,8,14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyMLGQEZIFDFTRAB-UHFFFAOYSA-N
XLogP4.82
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
methyl 5-[4-(1H-benzimidazol-2-yl)anilino]-5-oxopentanoate
CID 118717470
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid
CID 767937
N-[4-(1H-benzimidazol-2-yl)phenyl]octadecanamide
CID 101392453
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide
CID 17297236
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoate
CID 3680939
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide
CID 18586254
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 40692441
N-(3,4-dimethoxyphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide
CID 53131237
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylphenoxy)propanamide
CID 17296614
3-(1H-benzimidazol-2-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
CID 32519791
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 1369927

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide (CID 2091179) is N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1OC.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is MLGQEZIFDFTRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-29-21-13-7-16(15-22(21)30-2)8-14-23(28)25-18-11-9-17(10-12-18)24-26-19-5-3-4-6-20(19)27-24/h3-7,9-13,15H,8,14H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 401.47 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 2091179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).