2-[tert-butylcarbamoyl(2-methylpropyl)amino]-N-[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]acetamide

C28H37N5O2 — CID 42827339

IUPAC2-[tert-butylcarbamoyl(2-methylpropyl)amino]-N-[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]acetamide
SMILESCc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC(C)C)C(=O)NC(C)(C)C)cc1C
InChIInChI=1S/C28H37N5O2/c1-19(2)16-32(27(35)31-28(5,6)7)18-25(34)30-26-29-24(22-11-9-8-10-12-22)17-33(26)23-14-13-20(3)21(4)15-23/h8-15,17,19H,16,18H2,1-7H3,(H,31,35)(H,29,30,34)
InChIKeyRVOPYXRWNUZXIS-UHFFFAOYSA-N
MW475.64 g/mol
LogP5.56
Rot. Bonds7

About 2-[tert-butylcarbamoyl(2-methylpropyl)amino]-N-[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]acetamide

2-[tert-butylcarbamoyl(2-methylpropyl)amino]-N-[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]acetamide (PubChem CID 42827339) has the molecular formula C28H37N5O2 and a molecular weight of 475.64 g/mol. Its IUPAC name is 2-[tert-butylcarbamoyl(2-methylpropyl)amino]-N-[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[tert-butylcarbamoyl(2-methylpropyl)amino]-N-[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]acetamide
PubChem CID42827339
Molecular FormulaC28H37N5O2
Molecular Weight475.64 g/mol
Exact Mass475.29
IUPAC Name2-[tert-butylcarbamoyl(2-methylpropyl)amino]-N-[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]acetamide
SMILESCc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC(C)C)C(=O)NC(C)(C)C)cc1C
InChIInChI=1S/C28H37N5O2/c1-19(2)16-32(27(35)31-28(5,6)7)18-25(34)30-26-29-24(22-11-9-8-10-12-22)17-33(26)23-14-13-20(3)21(4)15-23/h8-15,17,19H,16,18H2,1-7H3,(H,31,35)(H,29,30,34)
InChIKeyRVOPYXRWNUZXIS-UHFFFAOYSA-N
XLogP5.56
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.64
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 46146480
N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 46145049
N-[2-[[1-(4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)propanamide
CID 46144510
N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-(2-methylpropyl)benzamide
CID 46146488
N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 42827233
N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 42827205
4-methoxy-N-[2-[[1-(4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 46144508
2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide
CID 42826539
N-[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide
CID 42828514
N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide
CID 42830547
N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide
CID 42828307
2-chloro-N-[2-[[1-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 83272806

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butylcarbamoyl(2-methylpropyl)amino]-N-[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]acetamide?
The IUPAC name of 2-[tert-butylcarbamoyl(2-methylpropyl)amino]-N-[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]acetamide (CID 42827339) is 2-[tert-butylcarbamoyl(2-methylpropyl)amino]-N-[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]acetamide.
What is the SMILES notation for 2-[tert-butylcarbamoyl(2-methylpropyl)amino]-N-[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]acetamide?
The canonical SMILES for 2-[tert-butylcarbamoyl(2-methylpropyl)amino]-N-[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]acetamide is Cc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC(C)C)C(=O)NC(C)(C)C)cc1C.
What is the InChIKey of 2-[tert-butylcarbamoyl(2-methylpropyl)amino]-N-[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]acetamide?
The InChIKey is RVOPYXRWNUZXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O2/c1-19(2)16-32(27(35)31-28(5,6)7)18-25(34)30-26-29-24(22-11-9-8-10-12-22)17-33(26)23-14-13-20(3)21(4)15-23/h8-15,17,19H,16,18H2,1-7H3,(H,31,35)(H,29,30,34).
What are the key properties of 2-[tert-butylcarbamoyl(2-methylpropyl)amino]-N-[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]acetamide?
2-[tert-butylcarbamoyl(2-methylpropyl)amino]-N-[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]acetamide has a molecular weight of 475.64 g/mol, XLogP of 5.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butylcarbamoyl(2-methylpropyl)amino]-N-[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]acetamide is sourced from PubChem (CID 42827339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).