N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide

C33H29FN4O2 — CID 42827205

IUPACN-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide
SMILESCc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(Cc2ccccc2)C(=O)c2ccc(F)cc2)cc1C
InChIInChI=1S/C33H29FN4O2/c1-23-13-18-29(19-24(23)2)38-21-30(26-11-7-4-8-12-26)35-33(38)36-31(39)22-37(20-25-9-5-3-6-10-25)32(40)27-14-16-28(34)17-15-27/h3-19,21H,20,22H2,1-2H3,(H,35,36,39)
InChIKeyADPWWLHWQOICKA-UHFFFAOYSA-N
MW532.62 g/mol
LogP6.58
Rot. Bonds8

About N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide

N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 42827205) has the molecular formula C33H29FN4O2 and a molecular weight of 532.62 g/mol. Its IUPAC name is N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide
PubChem CID42827205
Molecular FormulaC33H29FN4O2
Molecular Weight532.62 g/mol
Exact Mass532.23
IUPAC NameN-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide
SMILESCc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(Cc2ccccc2)C(=O)c2ccc(F)cc2)cc1C
InChIInChI=1S/C33H29FN4O2/c1-23-13-18-29(19-24(23)2)38-21-30(26-11-7-4-8-12-26)35-33(38)36-31(39)22-37(20-25-9-5-3-6-10-25)32(40)27-14-16-28(34)17-15-27/h3-19,21H,20,22H2,1-2H3,(H,35,36,39)
InChIKeyADPWWLHWQOICKA-UHFFFAOYSA-N
XLogP6.58
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.62
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-fluoro-N-(2-methoxyethyl)benzamide
CID 42830544
N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide
CID 42830547
N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98405667
N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98418671
4-fluoro-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 42827282
N-benzyl-N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
CID 46146240
N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 46146480
N-benzyl-N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42828389
N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 42827233
2-[tert-butylcarbamoyl(2-methylpropyl)amino]-N-[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]acetamide
CID 42827339
N-benzyl-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]propanamide
CID 42826827
N-benzyl-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42827140

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide (CID 42827205) is N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide is Cc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(Cc2ccccc2)C(=O)c2ccc(F)cc2)cc1C.
What is the InChIKey of N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is ADPWWLHWQOICKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29FN4O2/c1-23-13-18-29(19-24(23)2)38-21-30(26-11-7-4-8-12-26)35-33(38)36-31(39)22-37(20-25-9-5-3-6-10-25)32(40)27-14-16-28(34)17-15-27/h3-19,21H,20,22H2,1-2H3,(H,35,36,39).
What are the key properties of N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide?
N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 532.62 g/mol, XLogP of 6.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 42827205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).