1-(4-tert-butylphenyl)-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopropane-1-carboxamide

C24H27N3O — CID 71938322

IUPAC1-(4-tert-butylphenyl)-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopropane-1-carboxamide
SMILESCn1ccnc1-c1cccc(NC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)c1
InChIInChI=1S/C24H27N3O/c1-23(2,3)18-8-10-19(11-9-18)24(12-13-24)22(28)26-20-7-5-6-17(16-20)21-25-14-15-27(21)4/h5-11,14-16H,12-13H2,1-4H3,(H,26,28)
InChIKeyDAWOINNZLBCKIF-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.05
Rot. Bonds4

About 1-(4-tert-butylphenyl)-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopropane-1-carboxamide

1-(4-tert-butylphenyl)-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 71938322) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID71938322
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name1-(4-tert-butylphenyl)-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopropane-1-carboxamide
SMILESCn1ccnc1-c1cccc(NC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)c1
InChIInChI=1S/C24H27N3O/c1-23(2,3)18-8-10-19(11-9-18)24(12-13-24)22(28)26-20-7-5-6-17(16-20)21-25-14-15-27(21)4/h5-11,14-16H,12-13H2,1-4H3,(H,26,28)
InChIKeyDAWOINNZLBCKIF-UHFFFAOYSA-N
XLogP5.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 119856062
N-[3-(1-methylimidazol-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939586
4-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide
CID 119856092
N-[3-(1-methylimidazol-2-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 84584319
3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride
CID 119856083
1-(4-tert-butylphenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 52723771
5-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 60557129
N-[3-(1-methylimidazol-2-yl)phenyl]furan-2-carboxamide
CID 136578540
1-(2-hydroxyethyl)-1-methyl-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111453463
N-[3-(1-methylimidazol-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 60557169
1-(4-bromophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 55520947
1-(5-hydroxy-4,4-dimethylpentyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111474629

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-tert-butylphenyl)-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopropane-1-carboxamide (CID 71938322) is 1-(4-tert-butylphenyl)-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopropane-1-carboxamide is Cn1ccnc1-c1cccc(NC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)c1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is DAWOINNZLBCKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-23(2,3)18-8-10-19(11-9-18)24(12-13-24)22(28)26-20-7-5-6-17(16-20)21-25-14-15-27(21)4/h5-11,14-16H,12-13H2,1-4H3,(H,26,28).
What are the key properties of 1-(4-tert-butylphenyl)-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopropane-1-carboxamide?
1-(4-tert-butylphenyl)-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71938322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).