N-[(2-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine

C16H16FN3O2 — CID 82563008

IUPACN-[(2-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine
SMILESCOc1cc2nc(NCc3ccccc3F)[nH]c2cc1OC
InChIInChI=1S/C16H16FN3O2/c1-21-14-7-12-13(8-15(14)22-2)20-16(19-12)18-9-10-5-3-4-6-11(10)17/h3-8H,9H2,1-2H3,(H2,18,19,20)
InChIKeyBYRJDYOPBUNBMS-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.33
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine

N-[(2-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine (PubChem CID 82563008) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine
PubChem CID82563008
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC NameN-[(2-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine
SMILESCOc1cc2nc(NCc3ccccc3F)[nH]c2cc1OC
InChIInChI=1S/C16H16FN3O2/c1-21-14-7-12-13(8-15(14)22-2)20-16(19-12)18-9-10-5-3-4-6-11(10)17/h3-8H,9H2,1-2H3,(H2,18,19,20)
InChIKeyBYRJDYOPBUNBMS-UHFFFAOYSA-N
XLogP3.33
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine
CID 82564527
N-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine
CID 82564535
2-[(2-fluorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid
CID 82563097
5,6-dimethoxy-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine
CID 82563006
N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 63795518
6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-1H-benzimidazol-2-amine
CID 103294733
N-[(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylaniline
CID 43230210
N-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 60923540
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1H-benzimidazol-2-amine
CID 133410892
N-[(2-fluorophenyl)methyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563672
2-[(2-methoxyphenyl)methylamino]-4-methyl-1H-pyrimidin-6-one
CID 135816304
6-chloro-N-[(2,4-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 82564403

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine (CID 82563008) is N-[(2-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine is COc1cc2nc(NCc3ccccc3F)[nH]c2cc1OC.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine?
The InChIKey is BYRJDYOPBUNBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-21-14-7-12-13(8-15(14)22-2)20-16(19-12)18-9-10-5-3-4-6-11(10)17/h3-8H,9H2,1-2H3,(H2,18,19,20).
What are the key properties of N-[(2-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine?
N-[(2-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine has a molecular weight of 301.32 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine is sourced from PubChem (CID 82563008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).