cyclopropyl-(6-fluoro-2-methyl-3-pyrrolidin-1-yl-2H-benzimidazol-1-yl)methanone

C16H20FN3O — CID 70654190

IUPACcyclopropyl-(6-fluoro-2-methyl-3-pyrrolidin-1-yl-2H-benzimidazol-1-yl)methanone
SMILESCC1N(C(=O)C2CC2)c2cc(F)ccc2N1N1CCCC1
InChIInChI=1S/C16H20FN3O/c1-11-19(16(21)12-4-5-12)15-10-13(17)6-7-14(15)20(11)18-8-2-3-9-18/h6-7,10-12H,2-5,8-9H2,1H3
InChIKeyZBHDBZPYXAHBFW-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.75
Rot. Bonds2

About cyclopropyl-(6-fluoro-2-methyl-3-pyrrolidin-1-yl-2H-benzimidazol-1-yl)methanone

cyclopropyl-(6-fluoro-2-methyl-3-pyrrolidin-1-yl-2H-benzimidazol-1-yl)methanone (PubChem CID 70654190) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is cyclopropyl-(6-fluoro-2-methyl-3-pyrrolidin-1-yl-2H-benzimidazol-1-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(6-fluoro-2-methyl-3-pyrrolidin-1-yl-2H-benzimidazol-1-yl)methanone
PubChem CID70654190
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Namecyclopropyl-(6-fluoro-2-methyl-3-pyrrolidin-1-yl-2H-benzimidazol-1-yl)methanone
SMILESCC1N(C(=O)C2CC2)c2cc(F)ccc2N1N1CCCC1
InChIInChI=1S/C16H20FN3O/c1-11-19(16(21)12-4-5-12)15-10-13(17)6-7-14(15)20(11)18-8-2-3-9-18/h6-7,10-12H,2-5,8-9H2,1H3
InChIKeyZBHDBZPYXAHBFW-UHFFFAOYSA-N
XLogP2.75
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[6-fluoro-3-(pyrrolidin-1-ylmethyl)-2H-benzimidazol-1-yl]methanone
CID 70654188
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
N-(2,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxamide
CID 109150603
(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110636555
3-(6-fluoro-2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylic acid
CID 103953312
1-(4-fluoro-2-pyrrolidin-1-ylphenyl)ethanone
CID 2113330
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-ylpiperidin-3-yl)methanone
CID 142669666
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 113092391
[(1S,3R)-3-aminocyclopentyl]-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 124700230

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(6-fluoro-2-methyl-3-pyrrolidin-1-yl-2H-benzimidazol-1-yl)methanone?
The IUPAC name of cyclopropyl-(6-fluoro-2-methyl-3-pyrrolidin-1-yl-2H-benzimidazol-1-yl)methanone (CID 70654190) is cyclopropyl-(6-fluoro-2-methyl-3-pyrrolidin-1-yl-2H-benzimidazol-1-yl)methanone.
What is the SMILES notation for cyclopropyl-(6-fluoro-2-methyl-3-pyrrolidin-1-yl-2H-benzimidazol-1-yl)methanone?
The canonical SMILES for cyclopropyl-(6-fluoro-2-methyl-3-pyrrolidin-1-yl-2H-benzimidazol-1-yl)methanone is CC1N(C(=O)C2CC2)c2cc(F)ccc2N1N1CCCC1.
What is the InChIKey of cyclopropyl-(6-fluoro-2-methyl-3-pyrrolidin-1-yl-2H-benzimidazol-1-yl)methanone?
The InChIKey is ZBHDBZPYXAHBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-11-19(16(21)12-4-5-12)15-10-13(17)6-7-14(15)20(11)18-8-2-3-9-18/h6-7,10-12H,2-5,8-9H2,1H3.
What are the key properties of cyclopropyl-(6-fluoro-2-methyl-3-pyrrolidin-1-yl-2H-benzimidazol-1-yl)methanone?
cyclopropyl-(6-fluoro-2-methyl-3-pyrrolidin-1-yl-2H-benzimidazol-1-yl)methanone has a molecular weight of 289.35 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(6-fluoro-2-methyl-3-pyrrolidin-1-yl-2H-benzimidazol-1-yl)methanone is sourced from PubChem (CID 70654190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).