N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide

C24H23N3O2 — CID 110204562

IUPACN-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C24H23N3O2/c1-29-19-14-11-17(12-15-19)13-16-22(28)27-23(18-7-3-2-4-8-18)24-25-20-9-5-6-10-21(20)26-24/h2-12,14-15,23H,13,16H2,1H3,(H,25,26)(H,27,28)/t23-/m0/s1
InChIKeyCLIBINJEAPQRBX-QHCPKHFHSA-N
MW385.47 g/mol
LogP4.41
Rot. Bonds7

About N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide

N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 110204562) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
PubChem CID110204562
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC NameN-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C24H23N3O2/c1-29-19-14-11-17(12-15-19)13-16-22(28)27-23(18-7-3-2-4-8-18)24-25-20-9-5-6-10-21(20)26-24/h2-12,14-15,23H,13,16H2,1H3,(H,25,26)(H,27,28)/t23-/m0/s1
InChIKeyCLIBINJEAPQRBX-QHCPKHFHSA-N
XLogP4.41
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)propanamide
CID 91638824
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641
3-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 133220674
N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide
CID 43889810
N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)butanamide
CID 118986194
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 51158115
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 18121491
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 73420210
3-(4-methoxyphenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
CID 8854024
N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbutanamide
CID 43889826
N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide
CID 124873697
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-4-pyrazol-1-ylbutanamide
CID 110204372

Frequently Asked Questions

What is the IUPAC name of N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide (CID 110204562) is N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is CLIBINJEAPQRBX-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-29-19-14-11-17(12-15-19)13-16-22(28)27-23(18-7-3-2-4-8-18)24-25-20-9-5-6-10-21(20)26-24/h2-12,14-15,23H,13,16H2,1H3,(H,25,26)(H,27,28)/t23-/m0/s1.
What are the key properties of N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide?
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 385.47 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 110204562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).