4-fluoro-2-methyl-1-pyrrolidin-3-ylbenzimidazole

C12H14FN3 — CID 84786770

IUPAC4-fluoro-2-methyl-1-pyrrolidin-3-ylbenzimidazole
SMILESCc1nc2c(F)cccc2n1C1CCNC1
InChIInChI=1S/C12H14FN3/c1-8-15-12-10(13)3-2-4-11(12)16(8)9-5-6-14-7-9/h2-4,9,14H,5-7H2,1H3
InChIKeyRCJMPOGHXJMNJB-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.02
Rot. Bonds1

About 4-fluoro-2-methyl-1-pyrrolidin-3-ylbenzimidazole

4-fluoro-2-methyl-1-pyrrolidin-3-ylbenzimidazole (PubChem CID 84786770) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 4-fluoro-2-methyl-1-pyrrolidin-3-ylbenzimidazole.

Molecular Properties

Compound Name4-fluoro-2-methyl-1-pyrrolidin-3-ylbenzimidazole
PubChem CID84786770
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name4-fluoro-2-methyl-1-pyrrolidin-3-ylbenzimidazole
SMILESCc1nc2c(F)cccc2n1C1CCNC1
InChIInChI=1S/C12H14FN3/c1-8-15-12-10(13)3-2-4-11(12)16(8)9-5-6-14-7-9/h2-4,9,14H,5-7H2,1H3
InChIKeyRCJMPOGHXJMNJB-UHFFFAOYSA-N
XLogP2.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-methyl-1-piperidin-4-ylbenzimidazole
CID 84796160
2-ethyl-4-fluoro-1-pyrrolidin-3-ylbenzimidazole
CID 84796157
2-methyl-1-[(3S)-pyrrolidin-3-yl]benzimidazole;hydrochloride
CID 162422976
4-fluoro-1-piperidin-4-ylbenzimidazol-2-amine
CID 84796902
2,5-dimethyl-1-pyrrolidin-3-ylbenzimidazole
CID 84784214
7-fluoro-2-methyl-1-piperidin-4-ylbenzimidazole
CID 83418423
1-cyclopropyl-2-(4-ethylpiperidin-4-yl)-4-fluorobenzimidazole
CID 63125197
5,6-difluoro-2-methyl-1-piperidin-4-ylbenzimidazole
CID 82146059
8-fluoro-1-pyrrolidin-3-ylquinolin-2-one
CID 54248728
2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylpropan-2-amine
CID 62818968
3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2,3-dimethylbutan-2-amine
CID 65261178
2-bromo-1-cyclobutyl-4-fluorobenzimidazole
CID 84808519

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-1-pyrrolidin-3-ylbenzimidazole?
The IUPAC name of 4-fluoro-2-methyl-1-pyrrolidin-3-ylbenzimidazole (CID 84786770) is 4-fluoro-2-methyl-1-pyrrolidin-3-ylbenzimidazole.
What is the SMILES notation for 4-fluoro-2-methyl-1-pyrrolidin-3-ylbenzimidazole?
The canonical SMILES for 4-fluoro-2-methyl-1-pyrrolidin-3-ylbenzimidazole is Cc1nc2c(F)cccc2n1C1CCNC1.
What is the InChIKey of 4-fluoro-2-methyl-1-pyrrolidin-3-ylbenzimidazole?
The InChIKey is RCJMPOGHXJMNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-8-15-12-10(13)3-2-4-11(12)16(8)9-5-6-14-7-9/h2-4,9,14H,5-7H2,1H3.
What are the key properties of 4-fluoro-2-methyl-1-pyrrolidin-3-ylbenzimidazole?
4-fluoro-2-methyl-1-pyrrolidin-3-ylbenzimidazole has a molecular weight of 219.26 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-1-pyrrolidin-3-ylbenzimidazole is sourced from PubChem (CID 84786770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).