1-[(4-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide

C19H20FN3O3S — CID 135205686

IUPAC1-[(4-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(Cc2ccc(F)cc2)c2ccc(S(=O)(=O)NC3(C)CC3)cc21
InChIInChI=1S/C19H20FN3O3S/c1-19(9-10-19)21-27(25,26)15-7-8-16-17(11-15)22(2)18(24)23(16)12-13-3-5-14(20)6-4-13/h3-8,11,21H,9-10,12H2,1-2H3
InChIKeyOTLNIFBMBJHNSE-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.36
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide

1-[(4-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide (PubChem CID 135205686) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide
PubChem CID135205686
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC Name1-[(4-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(Cc2ccc(F)cc2)c2ccc(S(=O)(=O)NC3(C)CC3)cc21
InChIInChI=1S/C19H20FN3O3S/c1-19(9-10-19)21-27(25,26)15-7-8-16-17(11-15)22(2)18(24)23(16)12-13-3-5-14(20)6-4-13/h3-8,11,21H,9-10,12H2,1-2H3
InChIKeyOTLNIFBMBJHNSE-UHFFFAOYSA-N
XLogP2.36
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide (CID 135205686) is 1-[(4-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide is Cn1c(=O)n(Cc2ccc(F)cc2)c2ccc(S(=O)(=O)NC3(C)CC3)cc21.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is OTLNIFBMBJHNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-19(9-10-19)21-27(25,26)15-7-8-16-17(11-15)22(2)18(24)23(16)12-13-3-5-14(20)6-4-13/h3-8,11,21H,9-10,12H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide?
1-[(4-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 389.45 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 135205686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).