1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide

C19H18FN3O2 — CID 3634387

IUPAC1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc2c(c1)ncn2-c1cccc(F)c1
InChIInChI=1S/C19H18FN3O2/c20-14-3-1-4-15(10-14)23-12-22-17-9-13(6-7-18(17)23)19(24)21-11-16-5-2-8-25-16/h1,3-4,6-7,9-10,12,16H,2,5,8,11H2,(H,21,24)
InChIKeyJWEVFCSMGJYFLT-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.07
Rot. Bonds4

About 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide

1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 3634387) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide
PubChem CID3634387
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc2c(c1)ncn2-c1cccc(F)c1
InChIInChI=1S/C19H18FN3O2/c20-14-3-1-4-15(10-14)23-12-22-17-9-13(6-7-18(17)23)19(24)21-11-16-5-2-8-25-16/h1,3-4,6-7,9-10,12,16H,2,5,8,11H2,(H,21,24)
InChIKeyJWEVFCSMGJYFLT-UHFFFAOYSA-N
XLogP3.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide (CID 3634387) is 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide is O=C(NCC1CCCO1)c1ccc2c(c1)ncn2-c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is JWEVFCSMGJYFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-14-3-1-4-15(10-14)23-12-22-17-9-13(6-7-18(17)23)19(24)21-11-16-5-2-8-25-16/h1,3-4,6-7,9-10,12,16H,2,5,8,11H2,(H,21,24).
What are the key properties of 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide?
1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 3634387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).