N-[4-(7-hydroxy-4-oxoheptyl)-1-phenylimidazol-2-yl]-3-(1-methylpyrazol-4-yl)benzamide

C27H29N5O3 — CID 167602229

IUPACN-[4-(7-hydroxy-4-oxoheptyl)-1-phenylimidazol-2-yl]-3-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(-c2cccc(C(=O)Nc3nc(CCCC(=O)CCCO)cn3-c3ccccc3)c2)cn1
InChIInChI=1S/C27H29N5O3/c1-31-18-22(17-28-31)20-8-5-9-21(16-20)26(35)30-27-29-23(10-6-13-25(34)14-7-15-33)19-32(27)24-11-3-2-4-12-24/h2-5,8-9,11-12,16-19,33H,6-7,10,13-15H2,1H3,(H,29,30,35)
InChIKeyJWZXCIUGRKOIJA-UHFFFAOYSA-N
MW471.56 g/mol
LogP4.19
Rot. Bonds11

About N-[4-(7-hydroxy-4-oxoheptyl)-1-phenylimidazol-2-yl]-3-(1-methylpyrazol-4-yl)benzamide

N-[4-(7-hydroxy-4-oxoheptyl)-1-phenylimidazol-2-yl]-3-(1-methylpyrazol-4-yl)benzamide (PubChem CID 167602229) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-[4-(7-hydroxy-4-oxoheptyl)-1-phenylimidazol-2-yl]-3-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[4-(7-hydroxy-4-oxoheptyl)-1-phenylimidazol-2-yl]-3-(1-methylpyrazol-4-yl)benzamide
PubChem CID167602229
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC NameN-[4-(7-hydroxy-4-oxoheptyl)-1-phenylimidazol-2-yl]-3-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(-c2cccc(C(=O)Nc3nc(CCCC(=O)CCCO)cn3-c3ccccc3)c2)cn1
InChIInChI=1S/C27H29N5O3/c1-31-18-22(17-28-31)20-8-5-9-21(16-20)26(35)30-27-29-23(10-6-13-25(34)14-7-15-33)19-32(27)24-11-3-2-4-12-24/h2-5,8-9,11-12,16-19,33H,6-7,10,13-15H2,1H3,(H,29,30,35)
InChIKeyJWZXCIUGRKOIJA-UHFFFAOYSA-N
XLogP4.19
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[3-[[4-[4-(cyclopropylamino)-4-oxobutyl]-1-phenylimidazol-2-yl]carbamoyl]phenyl]pyrazol-1-yl] 2-methylpropanoate
CID 175242127
N-[1-phenyl-4-(7-phenylheptyl)imidazol-2-yl]-3-(1H-pyrazol-4-yl)benzamide
CID 167650474
(4E)-N-[4-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-1-phenylimidazol-2-yl]-12-(1-methylpyrazol-4-yl)-3,6-dioxo-2,7-dioxabicyclo[6.3.1]dodeca-1(12),4,8,10-tetraene-9-carboxamide
CID 156717852
N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide
CID 110486270
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CID 110486276
N-(2-ethyl-2,5-dihydroxypentyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 119073913
N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 110486267
N-(2-hydroxyethyl)-N-methyl-3-(1-methylpyrazol-4-yl)benzamide
CID 110486259
N-[4-(3-anilino-3-oxopropyl)-1-phenylimidazol-2-yl]-3-[3-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]benzamide
CID 156717829
3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 169417027
3-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide
CID 119059594
N-[4-(3-anilino-3-oxopropyl)-1-benzylimidazol-2-yl]-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]benzamide
CID 156717897

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-hydroxy-4-oxoheptyl)-1-phenylimidazol-2-yl]-3-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of N-[4-(7-hydroxy-4-oxoheptyl)-1-phenylimidazol-2-yl]-3-(1-methylpyrazol-4-yl)benzamide (CID 167602229) is N-[4-(7-hydroxy-4-oxoheptyl)-1-phenylimidazol-2-yl]-3-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for N-[4-(7-hydroxy-4-oxoheptyl)-1-phenylimidazol-2-yl]-3-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for N-[4-(7-hydroxy-4-oxoheptyl)-1-phenylimidazol-2-yl]-3-(1-methylpyrazol-4-yl)benzamide is Cn1cc(-c2cccc(C(=O)Nc3nc(CCCC(=O)CCCO)cn3-c3ccccc3)c2)cn1.
What is the InChIKey of N-[4-(7-hydroxy-4-oxoheptyl)-1-phenylimidazol-2-yl]-3-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is JWZXCIUGRKOIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-31-18-22(17-28-31)20-8-5-9-21(16-20)26(35)30-27-29-23(10-6-13-25(34)14-7-15-33)19-32(27)24-11-3-2-4-12-24/h2-5,8-9,11-12,16-19,33H,6-7,10,13-15H2,1H3,(H,29,30,35).
What are the key properties of N-[4-(7-hydroxy-4-oxoheptyl)-1-phenylimidazol-2-yl]-3-(1-methylpyrazol-4-yl)benzamide?
N-[4-(7-hydroxy-4-oxoheptyl)-1-phenylimidazol-2-yl]-3-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 471.56 g/mol, XLogP of 4.19, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-hydroxy-4-oxoheptyl)-1-phenylimidazol-2-yl]-3-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 167602229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).