4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide

C23H24N4O5 — CID 46390835

IUPAC4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(-n3cnc(NC(=O)C4CC4)c3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H24N4O5/c1-30-18-10-16(11-19(31-2)21(18)32-3)25-22(28)15-6-8-17(9-7-15)27-12-20(24-13-27)26-23(29)14-4-5-14/h6-14H,4-5H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyLBQCTYAVWWAFNM-UHFFFAOYSA-N
MW436.47 g/mol
LogP3.50
Rot. Bonds8

About 4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide

4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide (PubChem CID 46390835) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
PubChem CID46390835
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(-n3cnc(NC(=O)C4CC4)c3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H24N4O5/c1-30-18-10-16(11-19(31-2)21(18)32-3)25-22(28)15-6-8-17(9-7-15)27-12-20(24-13-27)26-23(29)14-4-5-14/h6-14H,4-5H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyLBQCTYAVWWAFNM-UHFFFAOYSA-N
XLogP3.50
TPSA103.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2,5-dimethylpyrrol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26717528
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide
CID 7741672
4-N,4-N-diethyl-1-N-(3,4,5-trimethoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109149494
1-(4-bromobenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
CID 26701571
4-(cyclopropanecarbonylamino)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 4506667
4-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenoxy]benzamide
CID 56545250
1-[6-(4-imidazol-1-ylanilino)pyridazin-3-yl]-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
CID 117092655
N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113036526
4-(4-acetamidoimidazol-1-yl)-N-(3-chloro-4-methylphenyl)benzamide;hydrochloride
CID 146063389
N-(3,4,5-trimethoxyphenyl)naphthalene-2-carboxamide
CID 7741667
3,4,5-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17012125

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide?
The IUPAC name of 4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide (CID 46390835) is 4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide.
What is the SMILES notation for 4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide?
The canonical SMILES for 4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide is COc1cc(NC(=O)c2ccc(-n3cnc(NC(=O)C4CC4)c3)cc2)cc(OC)c1OC.
What is the InChIKey of 4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide?
The InChIKey is LBQCTYAVWWAFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-30-18-10-16(11-19(31-2)21(18)32-3)25-22(28)15-6-8-17(9-7-15)27-12-20(24-13-27)26-23(29)14-4-5-14/h6-14H,4-5H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide?
4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide has a molecular weight of 436.47 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide is sourced from PubChem (CID 46390835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).