N-[1-phenyl-4-(7-phenylheptyl)imidazol-2-yl]-3-(1H-pyrazol-4-yl)benzamide

C32H33N5O — CID 167650474

IUPACN-[1-phenyl-4-(7-phenylheptyl)imidazol-2-yl]-3-(1H-pyrazol-4-yl)benzamide
SMILESO=C(Nc1nc(CCCCCCCc2ccccc2)cn1-c1ccccc1)c1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C32H33N5O/c38-31(27-17-12-16-26(21-27)28-22-33-34-23-28)36-32-35-29(24-37(32)30-19-10-5-11-20-30)18-9-3-1-2-6-13-25-14-7-4-8-15-25/h4-5,7-8,10-12,14-17,19-24H,1-3,6,9,13,18H2,(H,33,34)(H,35,36,38)
InChIKeyQMSRWICLCBBELL-UHFFFAOYSA-N
MW503.65 g/mol
LogP7.25
Rot. Bonds12

About N-[1-phenyl-4-(7-phenylheptyl)imidazol-2-yl]-3-(1H-pyrazol-4-yl)benzamide

N-[1-phenyl-4-(7-phenylheptyl)imidazol-2-yl]-3-(1H-pyrazol-4-yl)benzamide (PubChem CID 167650474) has the molecular formula C32H33N5O and a molecular weight of 503.65 g/mol. Its IUPAC name is N-[1-phenyl-4-(7-phenylheptyl)imidazol-2-yl]-3-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[1-phenyl-4-(7-phenylheptyl)imidazol-2-yl]-3-(1H-pyrazol-4-yl)benzamide
PubChem CID167650474
Molecular FormulaC32H33N5O
Molecular Weight503.65 g/mol
Exact Mass503.27
IUPAC NameN-[1-phenyl-4-(7-phenylheptyl)imidazol-2-yl]-3-(1H-pyrazol-4-yl)benzamide
SMILESO=C(Nc1nc(CCCCCCCc2ccccc2)cn1-c1ccccc1)c1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C32H33N5O/c38-31(27-17-12-16-26(21-27)28-22-33-34-23-28)36-32-35-29(24-37(32)30-19-10-5-11-20-30)18-9-3-1-2-6-13-25-14-7-4-8-15-25/h4-5,7-8,10-12,14-17,19-24H,1-3,6,9,13,18H2,(H,33,34)(H,35,36,38)
InChIKeyQMSRWICLCBBELL-UHFFFAOYSA-N
XLogP7.25
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.65
LogP ≤ 57.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(7-hydroxy-4-oxoheptyl)-1-phenylimidazol-2-yl]-3-(1-methylpyrazol-4-yl)benzamide
CID 167602229
N-(1,4-diphenylimidazol-2-yl)-4-(2-phenylethyl)benzamide
CID 70261482
[4-[3-[[4-[4-(cyclopropylamino)-4-oxobutyl]-1-phenylimidazol-2-yl]carbamoyl]phenyl]pyrazol-1-yl] 2-methylpropanoate
CID 175242127
N-[4-(2-oxobutyl)-1-phenylimidazol-2-yl]-1H-indazole-5-carboxamide
CID 167653238
N-prop-2-enyl-3-(1H-pyrazol-4-yl)benzamide
CID 110486658
N-[4-(3-methoxyphenyl)-1-phenylimidazol-2-yl]-4-(2-oxoethyl)benzamide
CID 143844316
4-[2-(1,3-dioxolan-2-yl)ethyl]-N-(1,4-diphenylimidazol-2-yl)benzamide
CID 70261449
3-(1H-pyrazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 74249008
N-[4-(3-anilino-3-oxopropyl)-1-phenylimidazol-2-yl]-3-[3-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]benzamide
CID 156717829
2-amino-N-(3-phenylpropyl)-4-(1H-pyrazol-4-yl)benzamide
CID 118662916
3-(1H-pyrazol-4-yl)-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 110486697
N-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71267356

Frequently Asked Questions

What is the IUPAC name of N-[1-phenyl-4-(7-phenylheptyl)imidazol-2-yl]-3-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-[1-phenyl-4-(7-phenylheptyl)imidazol-2-yl]-3-(1H-pyrazol-4-yl)benzamide (CID 167650474) is N-[1-phenyl-4-(7-phenylheptyl)imidazol-2-yl]-3-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-[1-phenyl-4-(7-phenylheptyl)imidazol-2-yl]-3-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-[1-phenyl-4-(7-phenylheptyl)imidazol-2-yl]-3-(1H-pyrazol-4-yl)benzamide is O=C(Nc1nc(CCCCCCCc2ccccc2)cn1-c1ccccc1)c1cccc(-c2cn[nH]c2)c1.
What is the InChIKey of N-[1-phenyl-4-(7-phenylheptyl)imidazol-2-yl]-3-(1H-pyrazol-4-yl)benzamide?
The InChIKey is QMSRWICLCBBELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N5O/c38-31(27-17-12-16-26(21-27)28-22-33-34-23-28)36-32-35-29(24-37(32)30-19-10-5-11-20-30)18-9-3-1-2-6-13-25-14-7-4-8-15-25/h4-5,7-8,10-12,14-17,19-24H,1-3,6,9,13,18H2,(H,33,34)(H,35,36,38).
What are the key properties of N-[1-phenyl-4-(7-phenylheptyl)imidazol-2-yl]-3-(1H-pyrazol-4-yl)benzamide?
N-[1-phenyl-4-(7-phenylheptyl)imidazol-2-yl]-3-(1H-pyrazol-4-yl)benzamide has a molecular weight of 503.65 g/mol, XLogP of 7.25, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-phenyl-4-(7-phenylheptyl)imidazol-2-yl]-3-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 167650474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).