N-[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide

C25H30ClN5O2 — CID 42828514

IUPACN-[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide
SMILESCCNC(=O)N(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(C)c1)CC(C)C
InChIInChI=1S/C25H30ClN5O2/c1-5-27-25(33)30(14-17(2)3)16-23(32)29-24-28-22(19-9-11-20(26)12-10-19)15-31(24)21-8-6-7-18(4)13-21/h6-13,15,17H,5,14,16H2,1-4H3,(H,27,33)(H,28,29,32)
InChIKeyDKXMSNSMZMCYAG-UHFFFAOYSA-N
MW468.00 g/mol
LogP5.13
Rot. Bonds8

About N-[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide

N-[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide (PubChem CID 42828514) has the molecular formula C25H30ClN5O2 and a molecular weight of 468.00 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide
PubChem CID42828514
Molecular FormulaC25H30ClN5O2
Molecular Weight468.00 g/mol
Exact Mass467.21
IUPAC NameN-[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide
SMILESCCNC(=O)N(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(C)c1)CC(C)C
InChIInChI=1S/C25H30ClN5O2/c1-5-27-25(33)30(14-17(2)3)16-23(32)29-24-28-22(19-9-11-20(26)12-10-19)15-31(24)21-8-6-7-18(4)13-21/h6-13,15,17H,5,14,16H2,1-4H3,(H,27,33)(H,28,29,32)
InChIKeyDKXMSNSMZMCYAG-UHFFFAOYSA-N
XLogP5.13
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.00
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide
CID 42828307
N-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-ethylbenzamide
CID 42828443
2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide
CID 42826539
N-[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(prop-2-enyl)amino]acetamide
CID 42828613
2-chloro-N-[2-[[1-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 83272806
2-chloro-N-ethyl-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide
CID 42827275
N-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-fluoro-N-prop-2-enylbenzamide
CID 42828464
N-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide
CID 46146270
N-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 46145711
4-chloro-N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 46146414
N-[2-[[1-(4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)propanamide
CID 46144510
N-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 46146259

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide (CID 42828514) is N-[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide is CCNC(=O)N(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(C)c1)CC(C)C.
What is the InChIKey of N-[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide?
The InChIKey is DKXMSNSMZMCYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O2/c1-5-27-25(33)30(14-17(2)3)16-23(32)29-24-28-22(19-9-11-20(26)12-10-19)15-31(24)21-8-6-7-18(4)13-21/h6-13,15,17H,5,14,16H2,1-4H3,(H,27,33)(H,28,29,32).
What are the key properties of N-[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide?
N-[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide has a molecular weight of 468.00 g/mol, XLogP of 5.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 42828514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).