1-[3-(4-fluorophenyl)-5-(sulfinoamino)phenyl]-5-(1-methylpyrazol-4-yl)benzimidazole

C23H18FN5O2S — CID 151698177

IUPAC1-[3-(4-fluorophenyl)-5-(sulfinoamino)phenyl]-5-(1-methylpyrazol-4-yl)benzimidazole
SMILESCn1cc(-c2ccc3c(c2)ncn3-c2cc(NS(=O)O)cc(-c3ccc(F)cc3)c2)cn1
InChIInChI=1S/C23H18FN5O2S/c1-28-13-18(12-26-28)16-4-7-23-22(10-16)25-14-29(23)21-9-17(8-20(11-21)27-32(30)31)15-2-5-19(24)6-3-15/h2-14,27H,1H3,(H,30,31)
InChIKeyBYZTWSQPNKPIJF-UHFFFAOYSA-N
MW447.50 g/mol
LogP4.78
Rot. Bonds5

About 1-[3-(4-fluorophenyl)-5-(sulfinoamino)phenyl]-5-(1-methylpyrazol-4-yl)benzimidazole

1-[3-(4-fluorophenyl)-5-(sulfinoamino)phenyl]-5-(1-methylpyrazol-4-yl)benzimidazole (PubChem CID 151698177) has the molecular formula C23H18FN5O2S and a molecular weight of 447.50 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-5-(sulfinoamino)phenyl]-5-(1-methylpyrazol-4-yl)benzimidazole.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-5-(sulfinoamino)phenyl]-5-(1-methylpyrazol-4-yl)benzimidazole
PubChem CID151698177
Molecular FormulaC23H18FN5O2S
Molecular Weight447.50 g/mol
Exact Mass447.12
IUPAC Name1-[3-(4-fluorophenyl)-5-(sulfinoamino)phenyl]-5-(1-methylpyrazol-4-yl)benzimidazole
SMILESCn1cc(-c2ccc3c(c2)ncn3-c2cc(NS(=O)O)cc(-c3ccc(F)cc3)c2)cn1
InChIInChI=1S/C23H18FN5O2S/c1-28-13-18(12-26-28)16-4-7-23-22(10-16)25-14-29(23)21-9-17(8-20(11-21)27-32(30)31)15-2-5-19(24)6-3-15/h2-14,27H,1H3,(H,30,31)
InChIKeyBYZTWSQPNKPIJF-UHFFFAOYSA-N
XLogP4.78
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-(4-fluorophenyl)-5-(sulfinoamino)phenyl]-5-(1-methylpyrazol-4-yl)benzimidazole 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

2-[4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetic acid
CID 118559083
(3S)-1-[2,6-dimethoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]-4,4,4-trifluoro-3-methylbutan-1-one
CID 158547193
2-cyclopropyl-1-[2-hydroxy-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]ethanone
CID 157062081
1-[2,6-dimethoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]-4-methylsulfonylbutan-1-one
CID 162190094
N-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]acetamide
CID 86281565
4-[1-(4-fluorophenyl)benzimidazol-5-yl]-N-(2-piperidin-1-ylethyl)benzamide
CID 11590339
1-[3-[5-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;hydrochloride
CID 68595951
N-[3-(5-bromobenzimidazol-1-yl)-5-(2,4-difluorophenyl)phenyl]acetamide
CID 71656707
azetidin-1-yl-[3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]methanone
CID 137490311
1-[4-[5-[1-(azetidin-3-yl)pyrazol-4-yl]benzimidazol-1-yl]-2,6-dimethoxyphenyl]-4,4,4-trifluorobutan-1-one
CID 158904532
(2S)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[4-(1-methylpyrazol-4-yl)phenyl]propanamide
CID 146318529
2-cyclopropyl-1-[4-[4-[1-[3-[(2,2,2-trifluoroethylamino)methylamino]phenyl]benzimidazol-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 123972686

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-5-(sulfinoamino)phenyl]-5-(1-methylpyrazol-4-yl)benzimidazole?
The IUPAC name of 1-[3-(4-fluorophenyl)-5-(sulfinoamino)phenyl]-5-(1-methylpyrazol-4-yl)benzimidazole (CID 151698177) is 1-[3-(4-fluorophenyl)-5-(sulfinoamino)phenyl]-5-(1-methylpyrazol-4-yl)benzimidazole.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-5-(sulfinoamino)phenyl]-5-(1-methylpyrazol-4-yl)benzimidazole?
The canonical SMILES for 1-[3-(4-fluorophenyl)-5-(sulfinoamino)phenyl]-5-(1-methylpyrazol-4-yl)benzimidazole is Cn1cc(-c2ccc3c(c2)ncn3-c2cc(NS(=O)O)cc(-c3ccc(F)cc3)c2)cn1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-5-(sulfinoamino)phenyl]-5-(1-methylpyrazol-4-yl)benzimidazole?
The InChIKey is BYZTWSQPNKPIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O2S/c1-28-13-18(12-26-28)16-4-7-23-22(10-16)25-14-29(23)21-9-17(8-20(11-21)27-32(30)31)15-2-5-19(24)6-3-15/h2-14,27H,1H3,(H,30,31).
What are the key properties of 1-[3-(4-fluorophenyl)-5-(sulfinoamino)phenyl]-5-(1-methylpyrazol-4-yl)benzimidazole?
1-[3-(4-fluorophenyl)-5-(sulfinoamino)phenyl]-5-(1-methylpyrazol-4-yl)benzimidazole has a molecular weight of 447.50 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-5-(sulfinoamino)phenyl]-5-(1-methylpyrazol-4-yl)benzimidazole is sourced from PubChem (CID 151698177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).