1-(3-fluorophenyl)-N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]benzimidazole-5-carboxamide

C26H22FN5O2 — CID 69059809

IUPAC1-(3-fluorophenyl)-N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]benzimidazole-5-carboxamide
SMILESCC(C)Oc1ccc(-c2cc(NC(=O)c3ccc4c(c3)ncn4-c3cccc(F)c3)n[nH]2)cc1
InChIInChI=1S/C26H22FN5O2/c1-16(2)34-21-9-6-17(7-10-21)22-14-25(31-30-22)29-26(33)18-8-11-24-23(12-18)28-15-32(24)20-5-3-4-19(27)13-20/h3-16H,1-2H3,(H2,29,30,31,33)
InChIKeyPNKVQMYDOASSLO-UHFFFAOYSA-N
MW455.49 g/mol
LogP5.59
Rot. Bonds6

About 1-(3-fluorophenyl)-N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]benzimidazole-5-carboxamide

1-(3-fluorophenyl)-N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]benzimidazole-5-carboxamide (PubChem CID 69059809) has the molecular formula C26H22FN5O2 and a molecular weight of 455.49 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]benzimidazole-5-carboxamide
PubChem CID69059809
Molecular FormulaC26H22FN5O2
Molecular Weight455.49 g/mol
Exact Mass455.18
IUPAC Name1-(3-fluorophenyl)-N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]benzimidazole-5-carboxamide
SMILESCC(C)Oc1ccc(-c2cc(NC(=O)c3ccc4c(c3)ncn4-c3cccc(F)c3)n[nH]2)cc1
InChIInChI=1S/C26H22FN5O2/c1-16(2)34-21-9-6-17(7-10-21)22-14-25(31-30-22)29-26(33)18-8-11-24-23(12-18)28-15-32(24)20-5-3-4-19(27)13-20/h3-16H,1-2H3,(H2,29,30,31,33)
InChIKeyPNKVQMYDOASSLO-UHFFFAOYSA-N
XLogP5.59
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.49
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-fluorophenyl)-N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-tert-butyl-3-(4-methoxyphenyl)pyrazol-5-yl]-1-(3-fluorophenyl)benzimidazole-5-carboxamide
CID 69056361
1-(3-fluorophenyl)-N-propylbenzimidazole-5-carboxamide
CID 3447663
3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109057469
1-[3-[3-(4-fluorophenoxy)propoxy]phenyl]-N-(3-methoxypropyl)benzimidazole-5-carboxamide
CID 11340536
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
CID 140931669
1-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzimidazole-5-carboxamide
CID 110469081
N-(5-phenyl-2-pyridinyl)-4-propan-2-yloxybenzamide
CID 24949251
N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59174009
N-(4-bromophenyl)-1-phenylbenzimidazole-5-carboxamide
CID 121080165
6-bromo-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 118716976
N-ethyl-5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-amine
CID 55145179
1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide
CID 3279711

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]benzimidazole-5-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]benzimidazole-5-carboxamide (CID 69059809) is 1-(3-fluorophenyl)-N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]benzimidazole-5-carboxamide is CC(C)Oc1ccc(-c2cc(NC(=O)c3ccc4c(c3)ncn4-c3cccc(F)c3)n[nH]2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]benzimidazole-5-carboxamide?
The InChIKey is PNKVQMYDOASSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O2/c1-16(2)34-21-9-6-17(7-10-21)22-14-25(31-30-22)29-26(33)18-8-11-24-23(12-18)28-15-32(24)20-5-3-4-19(27)13-20/h3-16H,1-2H3,(H2,29,30,31,33).
What are the key properties of 1-(3-fluorophenyl)-N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]benzimidazole-5-carboxamide?
1-(3-fluorophenyl)-N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]benzimidazole-5-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 5.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]benzimidazole-5-carboxamide is sourced from PubChem (CID 69059809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).