1-[1-(difluoromethyl)benzimidazol-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylethanamine

C20H23F2N3O2 — CID 46601705

IUPAC1-[1-(difluoromethyl)benzimidazol-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylethanamine
SMILESCOc1ccc(CN(C)C(C)c2nc3ccccc3n2C(F)F)cc1OC
InChIInChI=1S/C20H23F2N3O2/c1-13(19-23-15-7-5-6-8-16(15)25(19)20(21)22)24(2)12-14-9-10-17(26-3)18(11-14)27-4/h5-11,13,20H,12H2,1-4H3
InChIKeyQFPIHJRXQYKBAI-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.64
Rot. Bonds7

About 1-[1-(difluoromethyl)benzimidazol-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylethanamine

1-[1-(difluoromethyl)benzimidazol-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylethanamine (PubChem CID 46601705) has the molecular formula C20H23F2N3O2 and a molecular weight of 375.42 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)benzimidazol-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(difluoromethyl)benzimidazol-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylethanamine
PubChem CID46601705
Molecular FormulaC20H23F2N3O2
Molecular Weight375.42 g/mol
Exact Mass375.18
IUPAC Name1-[1-(difluoromethyl)benzimidazol-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylethanamine
SMILESCOc1ccc(CN(C)C(C)c2nc3ccccc3n2C(F)F)cc1OC
InChIInChI=1S/C20H23F2N3O2/c1-13(19-23-15-7-5-6-8-16(15)25(19)20(21)22)24(2)12-14-9-10-17(26-3)18(11-14)27-4/h5-11,13,20H,12H2,1-4H3
InChIKeyQFPIHJRXQYKBAI-UHFFFAOYSA-N
XLogP4.64
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)benzimidazol-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylethanamine?
The IUPAC name of 1-[1-(difluoromethyl)benzimidazol-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylethanamine (CID 46601705) is 1-[1-(difluoromethyl)benzimidazol-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(difluoromethyl)benzimidazol-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylethanamine?
The canonical SMILES for 1-[1-(difluoromethyl)benzimidazol-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylethanamine is COc1ccc(CN(C)C(C)c2nc3ccccc3n2C(F)F)cc1OC.
What is the InChIKey of 1-[1-(difluoromethyl)benzimidazol-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylethanamine?
The InChIKey is QFPIHJRXQYKBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2/c1-13(19-23-15-7-5-6-8-16(15)25(19)20(21)22)24(2)12-14-9-10-17(26-3)18(11-14)27-4/h5-11,13,20H,12H2,1-4H3.
What are the key properties of 1-[1-(difluoromethyl)benzimidazol-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylethanamine?
1-[1-(difluoromethyl)benzimidazol-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylethanamine has a molecular weight of 375.42 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)benzimidazol-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 46601705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).