2-[4-(1-methylbenzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol

C23H18N4O — CID 4879307

IUPAC2-[4-(1-methylbenzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol
SMILESCn1c(-c2c(-c3ccccc3)n[nH]c2-c2ccccc2O)nc2ccccc21
InChIInChI=1S/C23H18N4O/c1-27-18-13-7-6-12-17(18)24-23(27)20-21(15-9-3-2-4-10-15)25-26-22(20)16-11-5-8-14-19(16)28/h2-14,28H,1H3,(H,25,26)
InChIKeyUJHNFKSEXXMVBR-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.00
Rot. Bonds3

About 2-[4-(1-methylbenzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol

2-[4-(1-methylbenzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol (PubChem CID 4879307) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[4-(1-methylbenzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[4-(1-methylbenzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol
PubChem CID4879307
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name2-[4-(1-methylbenzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol
SMILESCn1c(-c2c(-c3ccccc3)n[nH]c2-c2ccccc2O)nc2ccccc21
InChIInChI=1S/C23H18N4O/c1-27-18-13-7-6-12-17(18)24-23(27)20-21(15-9-3-2-4-10-15)25-26-22(20)16-11-5-8-14-19(16)28/h2-14,28H,1H3,(H,25,26)
InChIKeyUJHNFKSEXXMVBR-UHFFFAOYSA-N
XLogP5.00
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylbenzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol?
The IUPAC name of 2-[4-(1-methylbenzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol (CID 4879307) is 2-[4-(1-methylbenzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 2-[4-(1-methylbenzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 2-[4-(1-methylbenzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol is Cn1c(-c2c(-c3ccccc3)n[nH]c2-c2ccccc2O)nc2ccccc21.
What is the InChIKey of 2-[4-(1-methylbenzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol?
The InChIKey is UJHNFKSEXXMVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-27-18-13-7-6-12-17(18)24-23(27)20-21(15-9-3-2-4-10-15)25-26-22(20)16-11-5-8-14-19(16)28/h2-14,28H,1H3,(H,25,26).
What are the key properties of 2-[4-(1-methylbenzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol?
2-[4-(1-methylbenzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol has a molecular weight of 366.42 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylbenzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 4879307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).