N-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[cyclopropylmethyl(ethylcarbamoyl)amino]acetamide

C26H30ClN5O4 — CID 42828513

IUPACN-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[cyclopropylmethyl(ethylcarbamoyl)amino]acetamide
SMILESCCNC(=O)N(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(OC)c(OC)c1)CC1CC1
InChIInChI=1S/C26H30ClN5O4/c1-4-28-26(34)31(14-17-5-6-17)16-24(33)30-25-29-21(18-7-9-19(27)10-8-18)15-32(25)20-11-12-22(35-2)23(13-20)36-3/h7-13,15,17H,4-6,14,16H2,1-3H3,(H,28,34)(H,29,30,33)
InChIKeyZPDACHFDOFTIKN-UHFFFAOYSA-N
MW512.01 g/mol
LogP4.59
Rot. Bonds10

About N-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[cyclopropylmethyl(ethylcarbamoyl)amino]acetamide

N-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[cyclopropylmethyl(ethylcarbamoyl)amino]acetamide (PubChem CID 42828513) has the molecular formula C26H30ClN5O4 and a molecular weight of 512.01 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[cyclopropylmethyl(ethylcarbamoyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[cyclopropylmethyl(ethylcarbamoyl)amino]acetamide
PubChem CID42828513
Molecular FormulaC26H30ClN5O4
Molecular Weight512.01 g/mol
Exact Mass511.20
IUPAC NameN-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[cyclopropylmethyl(ethylcarbamoyl)amino]acetamide
SMILESCCNC(=O)N(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(OC)c(OC)c1)CC1CC1
InChIInChI=1S/C26H30ClN5O4/c1-4-28-26(34)31(14-17-5-6-17)16-24(33)30-25-29-21(18-7-9-19(27)10-8-18)15-32(25)20-11-12-22(35-2)23(13-20)36-3/h7-13,15,17H,4-6,14,16H2,1-3H3,(H,28,34)(H,29,30,33)
InChIKeyZPDACHFDOFTIKN-UHFFFAOYSA-N
XLogP4.59
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.01
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide
CID 42830543
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-ethyl-2-methylbenzamide
CID 83289422
2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42830591
N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methylpropanamide
CID 46145071
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 46144641
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
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide
CID 42830515
4-chloro-N-(cyclopropylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]benzamide
CID 42828159
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-methylbenzamide
CID 46146458
4-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98418681
N-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 46145711
4-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 42827162

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[cyclopropylmethyl(ethylcarbamoyl)amino]acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[cyclopropylmethyl(ethylcarbamoyl)amino]acetamide (CID 42828513) is N-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[cyclopropylmethyl(ethylcarbamoyl)amino]acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[cyclopropylmethyl(ethylcarbamoyl)amino]acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[cyclopropylmethyl(ethylcarbamoyl)amino]acetamide is CCNC(=O)N(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(OC)c(OC)c1)CC1CC1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[cyclopropylmethyl(ethylcarbamoyl)amino]acetamide?
The InChIKey is ZPDACHFDOFTIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O4/c1-4-28-26(34)31(14-17-5-6-17)16-24(33)30-25-29-21(18-7-9-19(27)10-8-18)15-32(25)20-11-12-22(35-2)23(13-20)36-3/h7-13,15,17H,4-6,14,16H2,1-3H3,(H,28,34)(H,29,30,33).
What are the key properties of N-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[cyclopropylmethyl(ethylcarbamoyl)amino]acetamide?
N-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[cyclopropylmethyl(ethylcarbamoyl)amino]acetamide has a molecular weight of 512.01 g/mol, XLogP of 4.59, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[cyclopropylmethyl(ethylcarbamoyl)amino]acetamide is sourced from PubChem (CID 42828513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).