N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C28H34N4O5 — CID 93153009

IUPACN-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCOc1ccc(-c2cn(-c3ccc(OC)cc3)c(NC(=O)CN(C[C@@H]3CCCO3)C(=O)C(C)C)n2)cc1
InChIInChI=1S/C28H34N4O5/c1-19(2)27(34)31(16-24-6-5-15-37-24)18-26(33)30-28-29-25(20-7-11-22(35-3)12-8-20)17-32(28)21-9-13-23(36-4)14-10-21/h7-14,17,19,24H,5-6,15-16,18H2,1-4H3,(H,29,30,33)/t24-/m0/s1
InChIKeyPJVITXZWXRQYTB-DEOSSOPVSA-N
MW506.60 g/mol
LogP4.16
Rot. Bonds10

About N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide

N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 93153009) has the molecular formula C28H34N4O5 and a molecular weight of 506.60 g/mol. Its IUPAC name is N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID93153009
Molecular FormulaC28H34N4O5
Molecular Weight506.60 g/mol
Exact Mass506.25
IUPAC NameN-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCOc1ccc(-c2cn(-c3ccc(OC)cc3)c(NC(=O)CN(C[C@@H]3CCCO3)C(=O)C(C)C)n2)cc1
InChIInChI=1S/C28H34N4O5/c1-19(2)27(34)31(16-24-6-5-15-37-24)18-26(33)30-28-29-25(20-7-11-22(35-3)12-8-20)17-32(28)21-9-13-23(36-4)14-10-21/h7-14,17,19,24H,5-6,15-16,18H2,1-4H3,(H,29,30,33)/t24-/m0/s1
InChIKeyPJVITXZWXRQYTB-DEOSSOPVSA-N
XLogP4.16
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.60
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[tert-butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 93153743
N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 93151653
N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98432331
3-methoxy-N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 42828152
N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
CID 98442109
N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93151716
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
4-chloro-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98405658
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98441779
2-chloro-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98405670
N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[(4-methoxyphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide
CID 42828322
N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 93151026

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 93153009) is N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide is COc1ccc(-c2cn(-c3ccc(OC)cc3)c(NC(=O)CN(C[C@@H]3CCCO3)C(=O)C(C)C)n2)cc1.
What is the InChIKey of N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is PJVITXZWXRQYTB-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H34N4O5/c1-19(2)27(34)31(16-24-6-5-15-37-24)18-26(33)30-28-29-25(20-7-11-22(35-3)12-8-20)17-32(28)21-9-13-23(36-4)14-10-21/h7-14,17,19,24H,5-6,15-16,18H2,1-4H3,(H,29,30,33)/t24-/m0/s1.
What are the key properties of N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 506.60 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 93153009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).