6-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazole

C12H14FN3 — CID 84786764

IUPAC6-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazole
SMILESFc1ccc2ncn(CC3CCNC3)c2c1
InChIInChI=1S/C12H14FN3/c13-10-1-2-11-12(5-10)16(8-15-11)7-9-3-4-14-6-9/h1-2,5,8-9,14H,3-4,6-7H2
InChIKeyIHWJRYKZHIEKRS-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.78
Rot. Bonds2

About 6-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazole

6-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazole (PubChem CID 84786764) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 6-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazole.

Molecular Properties

Compound Name6-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazole
PubChem CID84786764
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name6-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazole
SMILESFc1ccc2ncn(CC3CCNC3)c2c1
InChIInChI=1S/C12H14FN3/c13-10-1-2-11-12(5-10)16(8-15-11)7-9-3-4-14-6-9/h1-2,5,8-9,14H,3-4,6-7H2
InChIKeyIHWJRYKZHIEKRS-UHFFFAOYSA-N
XLogP1.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-2-methyl-1-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84796143
5,6-di(piperidin-4-yl)-1-(piperidin-4-ylmethyl)benzimidazole
CID 174768083
5-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazol-2-amine
CID 84796895
1-(piperidin-3-ylmethyl)benzimidazol-5-ol
CID 84794554
1-(pyrrolidin-3-ylmethyl)imidazole-4,5-dicarbonitrile
CID 112595164
6-fluoro-2-(pyrrolidin-3-ylmethyl)quinazoline
CID 105489460
(2R,3S)-2-[3-(6-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 142411668
3-(piperidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one
CID 117263974
7-methyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 84793040
3-(cyclobutylmethyl)benzimidazole-5-carboxylic acid
CID 82791377
1-(cyclopropylmethyl)-6-methylbenzimidazole;pentane
CID 145068592
3-[(4,5-diiodoimidazol-1-yl)methyl]piperidine
CID 130508481

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazole?
The IUPAC name of 6-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazole (CID 84786764) is 6-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazole.
What is the SMILES notation for 6-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazole?
The canonical SMILES for 6-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazole is Fc1ccc2ncn(CC3CCNC3)c2c1.
What is the InChIKey of 6-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazole?
The InChIKey is IHWJRYKZHIEKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c13-10-1-2-11-12(5-10)16(8-15-11)7-9-3-4-14-6-9/h1-2,5,8-9,14H,3-4,6-7H2.
What are the key properties of 6-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazole?
6-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazole has a molecular weight of 219.26 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazole is sourced from PubChem (CID 84786764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).