6-fluoro-2-pyrrolidin-1-yl-1H-benzimidazole

C11H12FN3 — CID 142734957

IUPAC6-fluoro-2-pyrrolidin-1-yl-1H-benzimidazole
SMILESFc1ccc2nc(N3CCCC3)[nH]c2c1
InChIInChI=1S/C11H12FN3/c12-8-3-4-9-10(7-8)14-11(13-9)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2,(H,13,14)
InChIKeyNTKLNZMPWCDBNE-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.30
Rot. Bonds1

About 6-fluoro-2-pyrrolidin-1-yl-1H-benzimidazole

6-fluoro-2-pyrrolidin-1-yl-1H-benzimidazole (PubChem CID 142734957) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 6-fluoro-2-pyrrolidin-1-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-pyrrolidin-1-yl-1H-benzimidazole
PubChem CID142734957
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name6-fluoro-2-pyrrolidin-1-yl-1H-benzimidazole
SMILESFc1ccc2nc(N3CCCC3)[nH]c2c1
InChIInChI=1S/C11H12FN3/c12-8-3-4-9-10(7-8)14-11(13-9)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2,(H,13,14)
InChIKeyNTKLNZMPWCDBNE-UHFFFAOYSA-N
XLogP2.30
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-fluoro-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid
CID 84614259
2-[4-(bromomethyl)piperidin-1-yl]-6-fluoro-1H-benzimidazole
CID 103295605
6-fluoro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole
CID 103295247
2-(azepan-1-yl)-6-methyl-1H-benzimidazole
CID 110376234
2-piperidin-1-yl-3H-benzimidazole-5-carboxylic acid
CID 82563117
2-[2-(bromomethyl)piperidin-1-yl]-6-fluoro-1H-benzimidazole
CID 103295609
[1-(6-fluoro-1H-benzimidazol-2-yl)azepan-2-yl]methanol
CID 103295426
3-amino-1-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 107325189
6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole
CID 130271324
5-[4-(6-fluoro-1H-benzimidazol-2-yl)piperazin-1-yl]-2-methoxy-1H-imidazo[4,5-b]pyridine
CID 141372570
2-[4-(2,5-difluorophenyl)piperazin-1-yl]-1H-benzimidazole
CID 133410828
1-(6-fluoro-1H-benzimidazol-2-yl)-1,4-diazaspiro[5.5]undecane
CID 103295284

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-pyrrolidin-1-yl-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-pyrrolidin-1-yl-1H-benzimidazole (CID 142734957) is 6-fluoro-2-pyrrolidin-1-yl-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-pyrrolidin-1-yl-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-pyrrolidin-1-yl-1H-benzimidazole is Fc1ccc2nc(N3CCCC3)[nH]c2c1.
What is the InChIKey of 6-fluoro-2-pyrrolidin-1-yl-1H-benzimidazole?
The InChIKey is NTKLNZMPWCDBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c12-8-3-4-9-10(7-8)14-11(13-9)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2,(H,13,14).
What are the key properties of 6-fluoro-2-pyrrolidin-1-yl-1H-benzimidazole?
6-fluoro-2-pyrrolidin-1-yl-1H-benzimidazole has a molecular weight of 205.24 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-pyrrolidin-1-yl-1H-benzimidazole is sourced from PubChem (CID 142734957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).