1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1-methylcyclopentyl)methyl]methanamine

C12H19F2N3 — CID 55259669

IUPAC1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1-methylcyclopentyl)methyl]methanamine
SMILESCC1(CNCc2nccn2C(F)F)CCCC1
InChIInChI=1S/C12H19F2N3/c1-12(4-2-3-5-12)9-15-8-10-16-6-7-17(10)11(13)14/h6-7,11,15H,2-5,8-9H2,1H3
InChIKeySOQQVKWGAICRBT-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.95
Rot. Bonds5

About 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1-methylcyclopentyl)methyl]methanamine

1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1-methylcyclopentyl)methyl]methanamine (PubChem CID 55259669) has the molecular formula C12H19F2N3 and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1-methylcyclopentyl)methyl]methanamine.

Molecular Properties

Compound Name1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1-methylcyclopentyl)methyl]methanamine
PubChem CID55259669
Molecular FormulaC12H19F2N3
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1-methylcyclopentyl)methyl]methanamine
SMILESCC1(CNCc2nccn2C(F)F)CCCC1
InChIInChI=1S/C12H19F2N3/c1-12(4-2-3-5-12)9-15-8-10-16-6-7-17(10)11(13)14/h6-7,11,15H,2-5,8-9H2,1H3
InChIKeySOQQVKWGAICRBT-UHFFFAOYSA-N
XLogP2.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 6484685
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CID 63975807
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CID 56788085
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CID 71851037
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CID 44210336
CID 44210336
CID 25794905
CID 25794905
CID 84051444
CID 84051444
CID 56784395
CID 56784395
CID 75405379
CID 75405379
CID 164635369
CID 164635369
CID 57881375
CID 57881375
CID 67537599
CID 67537599

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1-methylcyclopentyl)methyl]methanamine?
The IUPAC name of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1-methylcyclopentyl)methyl]methanamine (CID 55259669) is 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1-methylcyclopentyl)methyl]methanamine.
What is the SMILES notation for 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1-methylcyclopentyl)methyl]methanamine?
The canonical SMILES for 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1-methylcyclopentyl)methyl]methanamine is CC1(CNCc2nccn2C(F)F)CCCC1.
What is the InChIKey of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1-methylcyclopentyl)methyl]methanamine?
The InChIKey is SOQQVKWGAICRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3/c1-12(4-2-3-5-12)9-15-8-10-16-6-7-17(10)11(13)14/h6-7,11,15H,2-5,8-9H2,1H3.
What are the key properties of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1-methylcyclopentyl)methyl]methanamine?
1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1-methylcyclopentyl)methyl]methanamine has a molecular weight of 243.30 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1-methylcyclopentyl)methyl]methanamine is sourced from PubChem (CID 55259669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).