1-[[4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxyphenyl]methyl]benzimidazol-2-amine

C23H21F2N3O3 — CID 177372632

IUPAC1-[[4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxyphenyl]methyl]benzimidazol-2-amine
SMILESCOc1cc(Cn2c(N)nc3ccccc32)ccc1OCc1ccc(OC(F)F)cc1
InChIInChI=1S/C23H21F2N3O3/c1-29-21-12-16(13-28-19-5-3-2-4-18(19)27-23(28)26)8-11-20(21)30-14-15-6-9-17(10-7-15)31-22(24)25/h2-12,22H,13-14H2,1H3,(H2,26,27)
InChIKeyIHDRIKZFZJDLCJ-UHFFFAOYSA-N
MW425.44 g/mol
LogP4.86
Rot. Bonds8

About 1-[[4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxyphenyl]methyl]benzimidazol-2-amine

1-[[4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxyphenyl]methyl]benzimidazol-2-amine (PubChem CID 177372632) has the molecular formula C23H21F2N3O3 and a molecular weight of 425.44 g/mol. Its IUPAC name is 1-[[4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxyphenyl]methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[[4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxyphenyl]methyl]benzimidazol-2-amine
PubChem CID177372632
Molecular FormulaC23H21F2N3O3
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC Name1-[[4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxyphenyl]methyl]benzimidazol-2-amine
SMILESCOc1cc(Cn2c(N)nc3ccccc32)ccc1OCc1ccc(OC(F)F)cc1
InChIInChI=1S/C23H21F2N3O3/c1-29-21-12-16(13-28-19-5-3-2-4-18(19)27-23(28)26)8-11-20(21)30-14-15-6-9-17(10-7-15)31-22(24)25/h2-12,22H,13-14H2,1H3,(H2,26,27)
InChIKeyIHDRIKZFZJDLCJ-UHFFFAOYSA-N
XLogP4.86
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxyphenyl]methyl]benzimidazol-2-amine?
The IUPAC name of 1-[[4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxyphenyl]methyl]benzimidazol-2-amine (CID 177372632) is 1-[[4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxyphenyl]methyl]benzimidazol-2-amine.
What is the SMILES notation for 1-[[4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxyphenyl]methyl]benzimidazol-2-amine?
The canonical SMILES for 1-[[4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxyphenyl]methyl]benzimidazol-2-amine is COc1cc(Cn2c(N)nc3ccccc32)ccc1OCc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[[4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxyphenyl]methyl]benzimidazol-2-amine?
The InChIKey is IHDRIKZFZJDLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O3/c1-29-21-12-16(13-28-19-5-3-2-4-18(19)27-23(28)26)8-11-20(21)30-14-15-6-9-17(10-7-15)31-22(24)25/h2-12,22H,13-14H2,1H3,(H2,26,27).
What are the key properties of 1-[[4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxyphenyl]methyl]benzimidazol-2-amine?
1-[[4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxyphenyl]methyl]benzimidazol-2-amine has a molecular weight of 425.44 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxyphenyl]methyl]benzimidazol-2-amine is sourced from PubChem (CID 177372632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).