[3-(aminomethyl)-4,4-difluoro-3-methylpyrrolidin-1-yl]-(1H-benzimidazol-2-yl)methanone

C14H16F2N4O — CID 166334096

IUPAC[3-(aminomethyl)-4,4-difluoro-3-methylpyrrolidin-1-yl]-(1H-benzimidazol-2-yl)methanone
SMILESCC1(CN)CN(C(=O)c2nc3ccccc3[nH]2)CC1(F)F
InChIInChI=1S/C14H16F2N4O/c1-13(6-17)7-20(8-14(13,15)16)12(21)11-18-9-4-2-3-5-10(9)19-11/h2-5H,6-8,17H2,1H3,(H,18,19)
InChIKeyCLEZARUZLABPLB-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.62
Rot. Bonds2

About [3-(aminomethyl)-4,4-difluoro-3-methylpyrrolidin-1-yl]-(1H-benzimidazol-2-yl)methanone

[3-(aminomethyl)-4,4-difluoro-3-methylpyrrolidin-1-yl]-(1H-benzimidazol-2-yl)methanone (PubChem CID 166334096) has the molecular formula C14H16F2N4O and a molecular weight of 294.30 g/mol. Its IUPAC name is [3-(aminomethyl)-4,4-difluoro-3-methylpyrrolidin-1-yl]-(1H-benzimidazol-2-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-4,4-difluoro-3-methylpyrrolidin-1-yl]-(1H-benzimidazol-2-yl)methanone
PubChem CID166334096
Molecular FormulaC14H16F2N4O
Molecular Weight294.30 g/mol
Exact Mass294.13
IUPAC Name[3-(aminomethyl)-4,4-difluoro-3-methylpyrrolidin-1-yl]-(1H-benzimidazol-2-yl)methanone
SMILESCC1(CN)CN(C(=O)c2nc3ccccc3[nH]2)CC1(F)F
InChIInChI=1S/C14H16F2N4O/c1-13(6-17)7-20(8-14(13,15)16)12(21)11-18-9-4-2-3-5-10(9)19-11/h2-5H,6-8,17H2,1H3,(H,18,19)
InChIKeyCLEZARUZLABPLB-UHFFFAOYSA-N
XLogP1.62
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 45077903
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1-(1H-benzimidazole-2-carbonyl)-3-ethylpiperidine-3-carboxylic acid
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1H-benzimidazol-2-yl-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 56909563
1H-benzimidazol-2-yl-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 46909812
1H-benzimidazol-2-yl-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 139721550
1H-benzimidazole-2-carbothioic S-acid
CID 19781386
1H-benzimidazol-2-yl-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170511011
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CID 164691027
tert-butyl 5-(1H-benzimidazole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 76741279
1H-benzimidazol-2-yl-[3-[3-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]methanone
CID 58547040
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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-4,4-difluoro-3-methylpyrrolidin-1-yl]-(1H-benzimidazol-2-yl)methanone?
The IUPAC name of [3-(aminomethyl)-4,4-difluoro-3-methylpyrrolidin-1-yl]-(1H-benzimidazol-2-yl)methanone (CID 166334096) is [3-(aminomethyl)-4,4-difluoro-3-methylpyrrolidin-1-yl]-(1H-benzimidazol-2-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)-4,4-difluoro-3-methylpyrrolidin-1-yl]-(1H-benzimidazol-2-yl)methanone?
The canonical SMILES for [3-(aminomethyl)-4,4-difluoro-3-methylpyrrolidin-1-yl]-(1H-benzimidazol-2-yl)methanone is CC1(CN)CN(C(=O)c2nc3ccccc3[nH]2)CC1(F)F.
What is the InChIKey of [3-(aminomethyl)-4,4-difluoro-3-methylpyrrolidin-1-yl]-(1H-benzimidazol-2-yl)methanone?
The InChIKey is CLEZARUZLABPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O/c1-13(6-17)7-20(8-14(13,15)16)12(21)11-18-9-4-2-3-5-10(9)19-11/h2-5H,6-8,17H2,1H3,(H,18,19).
What are the key properties of [3-(aminomethyl)-4,4-difluoro-3-methylpyrrolidin-1-yl]-(1H-benzimidazol-2-yl)methanone?
[3-(aminomethyl)-4,4-difluoro-3-methylpyrrolidin-1-yl]-(1H-benzimidazol-2-yl)methanone has a molecular weight of 294.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-4,4-difluoro-3-methylpyrrolidin-1-yl]-(1H-benzimidazol-2-yl)methanone is sourced from PubChem (CID 166334096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).