1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-7-methoxybenzimidazole

C19H16ClFN4O — CID 137458585

IUPAC1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-7-methoxybenzimidazole
SMILESCOc1cccc2ncn(-c3c(-c4ccc(F)cc4Cl)c(C)nn3C)c12
InChIInChI=1S/C19H16ClFN4O/c1-11-17(13-8-7-12(21)9-14(13)20)19(24(2)23-11)25-10-22-15-5-4-6-16(26-3)18(15)25/h4-10H,1-3H3
InChIKeyVSZKOTJOMNULCJ-UHFFFAOYSA-N
MW370.82 g/mol
LogP4.54
Rot. Bonds3

About 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-7-methoxybenzimidazole

1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-7-methoxybenzimidazole (PubChem CID 137458585) has the molecular formula C19H16ClFN4O and a molecular weight of 370.82 g/mol. Its IUPAC name is 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-7-methoxybenzimidazole.

Molecular Properties

Compound Name1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-7-methoxybenzimidazole
PubChem CID137458585
Molecular FormulaC19H16ClFN4O
Molecular Weight370.82 g/mol
Exact Mass370.10
IUPAC Name1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-7-methoxybenzimidazole
SMILESCOc1cccc2ncn(-c3c(-c4ccc(F)cc4Cl)c(C)nn3C)c12
InChIInChI=1S/C19H16ClFN4O/c1-11-17(13-8-7-12(21)9-14(13)20)19(24(2)23-11)25-10-22-15-5-4-6-16(26-3)18(15)25/h4-10H,1-3H3
InChIKeyVSZKOTJOMNULCJ-UHFFFAOYSA-N
XLogP4.54
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-7-methoxybenzimidazole?
The IUPAC name of 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-7-methoxybenzimidazole (CID 137458585) is 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-7-methoxybenzimidazole.
What is the SMILES notation for 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-7-methoxybenzimidazole?
The canonical SMILES for 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-7-methoxybenzimidazole is COc1cccc2ncn(-c3c(-c4ccc(F)cc4Cl)c(C)nn3C)c12.
What is the InChIKey of 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-7-methoxybenzimidazole?
The InChIKey is VSZKOTJOMNULCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O/c1-11-17(13-8-7-12(21)9-14(13)20)19(24(2)23-11)25-10-22-15-5-4-6-16(26-3)18(15)25/h4-10H,1-3H3.
What are the key properties of 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-7-methoxybenzimidazole?
1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-7-methoxybenzimidazole has a molecular weight of 370.82 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-7-methoxybenzimidazole is sourced from PubChem (CID 137458585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).