N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(propan-2-yl)amino]acetamide

C25H31N5O4 — CID 42829849

IUPACN-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(propan-2-yl)amino]acetamide
SMILESCCNC(=O)N(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(OC)cc1)C(C)C
InChIInChI=1S/C25H31N5O4/c1-6-26-25(32)29(17(2)3)16-23(31)28-24-27-22(18-7-11-20(33-4)12-8-18)15-30(24)19-9-13-21(34-5)14-10-19/h7-15,17H,6,16H2,1-5H3,(H,26,32)(H,27,28,31)
InChIKeyMUPQNXPMRJHQEM-UHFFFAOYSA-N
MW465.55 g/mol
LogP3.93
Rot. Bonds9

About N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(propan-2-yl)amino]acetamide

N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(propan-2-yl)amino]acetamide (PubChem CID 42829849) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(propan-2-yl)amino]acetamide
PubChem CID42829849
Molecular FormulaC25H31N5O4
Molecular Weight465.55 g/mol
Exact Mass465.24
IUPAC NameN-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(propan-2-yl)amino]acetamide
SMILESCCNC(=O)N(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(OC)cc1)C(C)C
InChIInChI=1S/C25H31N5O4/c1-6-26-25(32)29(17(2)3)16-23(31)28-24-27-22(18-7-11-20(33-4)12-8-18)15-30(24)19-9-13-21(34-5)14-10-19/h7-15,17H,6,16H2,1-5H3,(H,26,32)(H,27,28,31)
InChIKeyMUPQNXPMRJHQEM-UHFFFAOYSA-N
XLogP3.93
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,4-diphenylimidazol-2-yl)-2-[ethylcarbamoyl(propan-2-yl)amino]acetamide
CID 42826885
2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide
CID 42826539
2-[acetyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide
CID 42828098
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 46145799
N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide
CID 46146495
4-chloro-N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 46146414
N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 42828259
N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 42828372
N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide
CID 42828307
4-methoxy-N-[2-[[1-(4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 46144508
N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]-2-[(4-methylphenyl)sulfonyl-propan-2-ylamino]acetamide
CID 46145795
2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 46145823

Frequently Asked Questions

What is the IUPAC name of N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(propan-2-yl)amino]acetamide (CID 42829849) is N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(propan-2-yl)amino]acetamide is CCNC(=O)N(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(OC)cc1)C(C)C.
What is the InChIKey of N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(propan-2-yl)amino]acetamide?
The InChIKey is MUPQNXPMRJHQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-6-26-25(32)29(17(2)3)16-23(31)28-24-27-22(18-7-11-20(33-4)12-8-18)15-30(24)19-9-13-21(34-5)14-10-19/h7-15,17H,6,16H2,1-5H3,(H,26,32)(H,27,28,31).
What are the key properties of N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(propan-2-yl)amino]acetamide?
N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(propan-2-yl)amino]acetamide has a molecular weight of 465.55 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 42829849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).