2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole

C19H20FN3O — CID 75131975

IUPAC2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(C3CCN(Cc4ccc(F)cc4)C3)[nH]c2c1
InChIInChI=1S/C19H20FN3O/c1-24-16-6-7-17-18(10-16)22-19(21-17)14-8-9-23(12-14)11-13-2-4-15(20)5-3-13/h2-7,10,14H,8-9,11-12H2,1H3,(H,21,22)
InChIKeySSLOCLBGNAPVHG-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.70
Rot. Bonds4

About 2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole

2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole (PubChem CID 75131975) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
PubChem CID75131975
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(C3CCN(Cc4ccc(F)cc4)C3)[nH]c2c1
InChIInChI=1S/C19H20FN3O/c1-24-16-6-7-17-18(10-16)22-19(21-17)14-8-9-23(12-14)11-13-2-4-15(20)5-3-13/h2-7,10,14H,8-9,11-12H2,1H3,(H,21,22)
InChIKeySSLOCLBGNAPVHG-UHFFFAOYSA-N
XLogP3.70
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-2-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75615105
6-fluoro-2-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75131930
2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-6-methyl-1H-benzimidazole
CID 51137097
2-(1-cyclobutylpyrrolidin-3-yl)-6-methoxy-1H-benzimidazole
CID 75131970
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-6-methoxy-3-phenylquinoxaline
CID 51049798
6-methoxy-2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1H-benzimidazole
CID 75131980
6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole
CID 129371343
(4R)-1-[(4-methoxyphenyl)methyl]-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 96571566
6-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazole
CID 82335981
2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 51137111
4-[[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 75131931
6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole
CID 170441623

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole (CID 75131975) is 2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole is COc1ccc2nc(C3CCN(Cc4ccc(F)cc4)C3)[nH]c2c1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole?
The InChIKey is SSLOCLBGNAPVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-24-16-6-7-17-18(10-16)22-19(21-17)14-8-9-23(12-14)11-13-2-4-15(20)5-3-13/h2-7,10,14H,8-9,11-12H2,1H3,(H,21,22).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole?
2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole has a molecular weight of 325.39 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole is sourced from PubChem (CID 75131975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).