2-[1-[(6-bromo-4-fluorobenzimidazol-1-yl)methyl]cyclopropyl]acetonitrile

C13H11BrFN3 — CID 175853680

IUPAC2-[1-[(6-bromo-4-fluorobenzimidazol-1-yl)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(Cn2cnc3c(F)cc(Br)cc32)CC1
InChIInChI=1S/C13H11BrFN3/c14-9-5-10(15)12-11(6-9)18(8-17-12)7-13(1-2-13)3-4-16/h5-6,8H,1-3,7H2
InChIKeyJDEWFXKINNLYDO-UHFFFAOYSA-N
MW308.15 g/mol
LogP3.63
Rot. Bonds3

About 2-[1-[(6-bromo-4-fluorobenzimidazol-1-yl)methyl]cyclopropyl]acetonitrile

2-[1-[(6-bromo-4-fluorobenzimidazol-1-yl)methyl]cyclopropyl]acetonitrile (PubChem CID 175853680) has the molecular formula C13H11BrFN3 and a molecular weight of 308.15 g/mol. Its IUPAC name is 2-[1-[(6-bromo-4-fluorobenzimidazol-1-yl)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(6-bromo-4-fluorobenzimidazol-1-yl)methyl]cyclopropyl]acetonitrile
PubChem CID175853680
Molecular FormulaC13H11BrFN3
Molecular Weight308.15 g/mol
Exact Mass307.01
IUPAC Name2-[1-[(6-bromo-4-fluorobenzimidazol-1-yl)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(Cn2cnc3c(F)cc(Br)cc32)CC1
InChIInChI=1S/C13H11BrFN3/c14-9-5-10(15)12-11(6-9)18(8-17-12)7-13(1-2-13)3-4-16/h5-6,8H,1-3,7H2
InChIKeyJDEWFXKINNLYDO-UHFFFAOYSA-N
XLogP3.63
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(indol-1-ylmethyl)cyclopropyl]acetonitrile
CID 65497881
2-[1-[(3,5-dibromophenyl)methyl]cyclopentyl]acetonitrile
CID 130451899
2-[1-[(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)methyl]cyclopropyl]acetonitrile
CID 65495452
methyl 4-[(6-cyano-4-fluorobenzimidazol-1-yl)methyl]cyclohexane-1-carboxylate
CID 172582045
2-[1-[(3,4,5-trifluoroanilino)methyl]cyclopropyl]acetonitrile
CID 65498604
2-[1-[(3-ethyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile
CID 80581592
2-[1-[(5-bromo-2-methyl-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile
CID 66308172
2-[1-[[4-(aminomethyl)-2,6-difluorophenoxy]methyl]cyclopropyl]acetonitrile
CID 79887273
2-(6-bromo-8-fluoroquinolin-3-yl)acetonitrile
CID 138755822
2-[1-[(2-bromo-4-fluorocyclohexa-2,4-dien-1-yl)methyl]cyclopropyl]acetonitrile
CID 175970356
2-[1-[(6-amino-4-ethylsulfanylindol-1-yl)methyl]cyclopropyl]acetonitrile
CID 65497760
2-[1-[(2,3,5,6-tetrafluoroanilino)methyl]cyclopropyl]acetonitrile
CID 107644461

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-bromo-4-fluorobenzimidazol-1-yl)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(6-bromo-4-fluorobenzimidazol-1-yl)methyl]cyclopropyl]acetonitrile (CID 175853680) is 2-[1-[(6-bromo-4-fluorobenzimidazol-1-yl)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(6-bromo-4-fluorobenzimidazol-1-yl)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(6-bromo-4-fluorobenzimidazol-1-yl)methyl]cyclopropyl]acetonitrile is N#CCC1(Cn2cnc3c(F)cc(Br)cc32)CC1.
What is the InChIKey of 2-[1-[(6-bromo-4-fluorobenzimidazol-1-yl)methyl]cyclopropyl]acetonitrile?
The InChIKey is JDEWFXKINNLYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3/c14-9-5-10(15)12-11(6-9)18(8-17-12)7-13(1-2-13)3-4-16/h5-6,8H,1-3,7H2.
What are the key properties of 2-[1-[(6-bromo-4-fluorobenzimidazol-1-yl)methyl]cyclopropyl]acetonitrile?
2-[1-[(6-bromo-4-fluorobenzimidazol-1-yl)methyl]cyclopropyl]acetonitrile has a molecular weight of 308.15 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-bromo-4-fluorobenzimidazol-1-yl)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 175853680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).