N-(4-methoxyphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide

C22H23N5O3 — CID 16746608

IUPACN-(4-methoxyphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nc[nH]c2C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H23N5O3/c1-30-18-9-7-16(8-10-18)25-21(28)19-20(24-15-23-19)22(29)27-13-11-26(12-14-27)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,23,24)(H,25,28)
InChIKeyUJONHVGHRUIQGC-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.63
Rot. Bonds5

About N-(4-methoxyphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide

N-(4-methoxyphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide (PubChem CID 16746608) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide
PubChem CID16746608
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC NameN-(4-methoxyphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nc[nH]c2C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H23N5O3/c1-30-18-9-7-16(8-10-18)25-21(28)19-20(24-15-23-19)22(29)27-13-11-26(12-14-27)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,23,24)(H,25,28)
InChIKeyUJONHVGHRUIQGC-UHFFFAOYSA-N
XLogP2.63
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
N-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109215246
N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide
CID 17335407
N-[4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]phenyl]benzamide
CID 55917529
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261137
[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(4-phenyl-1H-imidazol-5-yl)methanone
CID 11383785
tert-butyl (2S)-4-methyl-2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]pentanoate
CID 16746556
4-methoxy-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056093
N-(4-methoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138442
4-chloro-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17335383
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147289
N-(4-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide
CID 42601276

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide (CID 16746608) is N-(4-methoxyphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide is COc1ccc(NC(=O)c2nc[nH]c2C(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide?
The InChIKey is UJONHVGHRUIQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-30-18-9-7-16(8-10-18)25-21(28)19-20(24-15-23-19)22(29)27-13-11-26(12-14-27)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,23,24)(H,25,28).
What are the key properties of N-(4-methoxyphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide?
N-(4-methoxyphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 16746608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).