N-[2-[[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide

C32H34FN5O4 — CID 42828474

IUPACN-[2-[[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1cccc(C(=O)N(CCN2CCOCC2)CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(C)c(F)c2)c1
InChIInChI=1S/C32H34FN5O4/c1-23-11-12-26(20-28(23)33)38-21-29(24-7-4-3-5-8-24)34-32(38)35-30(39)22-37(14-13-36-15-17-42-18-16-36)31(40)25-9-6-10-27(19-25)41-2/h3-12,19-21H,13-18,22H2,1-2H3,(H,34,35,39)
InChIKeyYUAZVEQQUCSATO-UHFFFAOYSA-N
MW571.65 g/mol
LogP4.41
Rot. Bonds10

About N-[2-[[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide

N-[2-[[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 42828474) has the molecular formula C32H34FN5O4 and a molecular weight of 571.65 g/mol. Its IUPAC name is N-[2-[[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-[2-[[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID42828474
Molecular FormulaC32H34FN5O4
Molecular Weight571.65 g/mol
Exact Mass571.26
IUPAC NameN-[2-[[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1cccc(C(=O)N(CCN2CCOCC2)CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(C)c(F)c2)c1
InChIInChI=1S/C32H34FN5O4/c1-23-11-12-26(20-28(23)33)38-21-29(24-7-4-3-5-8-24)34-32(38)35-30(39)22-37(14-13-36-15-17-42-18-16-36)31(40)25-9-6-10-27(19-25)41-2/h3-12,19-21H,13-18,22H2,1-2H3,(H,34,35,39)
InChIKeyYUAZVEQQUCSATO-UHFFFAOYSA-N
XLogP4.41
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.65
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98431956
N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 91633749
2-[ethylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide
CID 42826540
4-chloro-N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42828243
2,4-dichloro-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42826033
N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98440219
N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-(2-methylpropyl)benzamide
CID 46146488
3-methoxy-N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 42828152
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 46144641
N-[2-[[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 98418798
N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98418796
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98385589

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of N-[2-[[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide (CID 42828474) is N-[2-[[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for N-[2-[[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for N-[2-[[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide is COc1cccc(C(=O)N(CCN2CCOCC2)CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(C)c(F)c2)c1.
What is the InChIKey of N-[2-[[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is YUAZVEQQUCSATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN5O4/c1-23-11-12-26(20-28(23)33)38-21-29(24-7-4-3-5-8-24)34-32(38)35-30(39)22-37(14-13-36-15-17-42-18-16-36)31(40)25-9-6-10-27(19-25)41-2/h3-12,19-21H,13-18,22H2,1-2H3,(H,34,35,39).
What are the key properties of N-[2-[[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide?
N-[2-[[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 571.65 g/mol, XLogP of 4.41, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 42828474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).