N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-1H-benzimidazol-2-amine

C17H17F2N3O2 — CID 133410006

IUPACN-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-1H-benzimidazol-2-amine
SMILESCOc1ccc(CCNc2nc3ccccc3[nH]2)cc1OC(F)F
InChIInChI=1S/C17H17F2N3O2/c1-23-14-7-6-11(10-15(14)24-16(18)19)8-9-20-17-21-12-4-2-3-5-13(12)22-17/h2-7,10,16H,8-9H2,1H3,(H2,20,21,22)
InChIKeyFLKIJJAWNNXWDO-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.83
Rot. Bonds7

About N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-1H-benzimidazol-2-amine

N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-1H-benzimidazol-2-amine (PubChem CID 133410006) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-1H-benzimidazol-2-amine
PubChem CID133410006
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC NameN-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-1H-benzimidazol-2-amine
SMILESCOc1ccc(CCNc2nc3ccccc3[nH]2)cc1OC(F)F
InChIInChI=1S/C17H17F2N3O2/c1-23-14-7-6-11(10-15(14)24-16(18)19)8-9-20-17-21-12-4-2-3-5-13(12)22-17/h2-7,10,16H,8-9H2,1H3,(H2,20,21,22)
InChIKeyFLKIJJAWNNXWDO-UHFFFAOYSA-N
XLogP3.83
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1H-benzimidazol-2-amine
CID 133410892
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-benzimidazol-2-amine
CID 133410298
2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methylethanamine
CID 64867479
N-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-2-amine
CID 62313746
2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]quinoline-3-carbonitrile
CID 154863356
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]propan-2-amine
CID 64866198
N-[2-(2-methoxyphenoxy)propyl]-1H-benzimidazol-2-amine
CID 133410527
2-(1H-benzimidazol-2-ylamino)-1-(3,4-dimethoxyphenyl)ethanol
CID 133410382
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
2-(1H-benzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 66526954
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine
CID 36832499
N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide
CID 167880656

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-1H-benzimidazol-2-amine (CID 133410006) is N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-1H-benzimidazol-2-amine is COc1ccc(CCNc2nc3ccccc3[nH]2)cc1OC(F)F.
What is the InChIKey of N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-1H-benzimidazol-2-amine?
The InChIKey is FLKIJJAWNNXWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c1-23-14-7-6-11(10-15(14)24-16(18)19)8-9-20-17-21-12-4-2-3-5-13(12)22-17/h2-7,10,16H,8-9H2,1H3,(H2,20,21,22).
What are the key properties of N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-1H-benzimidazol-2-amine?
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-1H-benzimidazol-2-amine has a molecular weight of 333.34 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 133410006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).