cyclopropyl-[6-fluoro-3-(pyrrolidin-1-ylmethyl)-2H-benzimidazol-1-yl]methanone

C16H20FN3O — CID 70654188

IUPACcyclopropyl-[6-fluoro-3-(pyrrolidin-1-ylmethyl)-2H-benzimidazol-1-yl]methanone
SMILESO=C(C1CC1)N1CN(CN2CCCC2)c2ccc(F)cc21
InChIInChI=1S/C16H20FN3O/c17-13-5-6-14-15(9-13)20(16(21)12-3-4-12)11-19(14)10-18-7-1-2-8-18/h5-6,9,12H,1-4,7-8,10-11H2
InChIKeyOSRBQQIZFIVULU-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.40
Rot. Bonds3

About cyclopropyl-[6-fluoro-3-(pyrrolidin-1-ylmethyl)-2H-benzimidazol-1-yl]methanone

cyclopropyl-[6-fluoro-3-(pyrrolidin-1-ylmethyl)-2H-benzimidazol-1-yl]methanone (PubChem CID 70654188) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is cyclopropyl-[6-fluoro-3-(pyrrolidin-1-ylmethyl)-2H-benzimidazol-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[6-fluoro-3-(pyrrolidin-1-ylmethyl)-2H-benzimidazol-1-yl]methanone
PubChem CID70654188
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Namecyclopropyl-[6-fluoro-3-(pyrrolidin-1-ylmethyl)-2H-benzimidazol-1-yl]methanone
SMILESO=C(C1CC1)N1CN(CN2CCCC2)c2ccc(F)cc21
InChIInChI=1S/C16H20FN3O/c17-13-5-6-14-15(9-13)20(16(21)12-3-4-12)11-19(14)10-18-7-1-2-8-18/h5-6,9,12H,1-4,7-8,10-11H2
InChIKeyOSRBQQIZFIVULU-UHFFFAOYSA-N
XLogP2.40
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-(6-fluoro-2-methyl-3-pyrrolidin-1-yl-2H-benzimidazol-1-yl)methanone
CID 70654190
1-[(3S)-3-(7-fluoro-4-propyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]ethanone
CID 99793533
1-(cyclopentanecarbonyl)-6-fluoro-2,3-dihydroquinolin-4-one
CID 110635059
(3-aminocyclopentyl)-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 119899709
(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone
CID 83762011
3-(6-fluoro-2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylic acid
CID 103953312
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)-2,3-dihydroindole-5-sulfonamide
CID 6621715
cyclopropyl-[6-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 51588951
1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 178133859
cyclopentyl-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 23910095
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-fluorophenyl)propanamide
CID 110623188
cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 110801627

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[6-fluoro-3-(pyrrolidin-1-ylmethyl)-2H-benzimidazol-1-yl]methanone?
The IUPAC name of cyclopropyl-[6-fluoro-3-(pyrrolidin-1-ylmethyl)-2H-benzimidazol-1-yl]methanone (CID 70654188) is cyclopropyl-[6-fluoro-3-(pyrrolidin-1-ylmethyl)-2H-benzimidazol-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[6-fluoro-3-(pyrrolidin-1-ylmethyl)-2H-benzimidazol-1-yl]methanone?
The canonical SMILES for cyclopropyl-[6-fluoro-3-(pyrrolidin-1-ylmethyl)-2H-benzimidazol-1-yl]methanone is O=C(C1CC1)N1CN(CN2CCCC2)c2ccc(F)cc21.
What is the InChIKey of cyclopropyl-[6-fluoro-3-(pyrrolidin-1-ylmethyl)-2H-benzimidazol-1-yl]methanone?
The InChIKey is OSRBQQIZFIVULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c17-13-5-6-14-15(9-13)20(16(21)12-3-4-12)11-19(14)10-18-7-1-2-8-18/h5-6,9,12H,1-4,7-8,10-11H2.
What are the key properties of cyclopropyl-[6-fluoro-3-(pyrrolidin-1-ylmethyl)-2H-benzimidazol-1-yl]methanone?
cyclopropyl-[6-fluoro-3-(pyrrolidin-1-ylmethyl)-2H-benzimidazol-1-yl]methanone has a molecular weight of 289.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[6-fluoro-3-(pyrrolidin-1-ylmethyl)-2H-benzimidazol-1-yl]methanone is sourced from PubChem (CID 70654188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).