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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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).