[3-(benzimidazol-1-ylmethyl)-4-methoxyphenyl]methanamine

C16H17N3O — CID 62016875

IUPAC[3-(benzimidazol-1-ylmethyl)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1Cn1cnc2ccccc21
InChIInChI=1S/C16H17N3O/c1-20-16-7-6-12(9-17)8-13(16)10-19-11-18-14-4-2-3-5-15(14)19/h2-8,11H,9-10,17H2,1H3
InChIKeyZASIKBRVNIMUAJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.55
Rot. Bonds4

About [3-(benzimidazol-1-ylmethyl)-4-methoxyphenyl]methanamine

[3-(benzimidazol-1-ylmethyl)-4-methoxyphenyl]methanamine (PubChem CID 62016875) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is [3-(benzimidazol-1-ylmethyl)-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-(benzimidazol-1-ylmethyl)-4-methoxyphenyl]methanamine
PubChem CID62016875
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name[3-(benzimidazol-1-ylmethyl)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1Cn1cnc2ccccc21
InChIInChI=1S/C16H17N3O/c1-20-16-7-6-12(9-17)8-13(16)10-19-11-18-14-4-2-3-5-15(14)19/h2-8,11H,9-10,17H2,1H3
InChIKeyZASIKBRVNIMUAJ-UHFFFAOYSA-N
XLogP2.55
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,5-dimethoxyphenyl)methyl]benzimidazole
CID 139217669
[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methanamine
CID 102663221
[4-(benzimidazol-1-yl)-3-methoxyphenyl]methanamine
CID 141496623
1-(benzimidazol-1-yl)-3-(2-methoxyphenyl)propan-2-amine
CID 105107290
1-[4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methoxyphenyl]-N-methylmethanimine
CID 130177813
[3-(chloromethyl)-4-methoxyphenyl]-[6-(2-methoxyphenyl)pyrimidin-4-yl]azanium;1-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]methyl]benzimidazole;molecular hydrogen;chloride
CID 160874798
1-[[4-(3-imidazol-1-yl-4-methoxyphenyl)phenyl]methyl]benzimidazole
CID 86295969
1-[(2-propoxyphenyl)methyl]benzimidazole
CID 15840178
1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-propylimidazol-2-one
CID 80581760
1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-5-amine
CID 62506051
1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 830340
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815

Frequently Asked Questions

What is the IUPAC name of [3-(benzimidazol-1-ylmethyl)-4-methoxyphenyl]methanamine?
The IUPAC name of [3-(benzimidazol-1-ylmethyl)-4-methoxyphenyl]methanamine (CID 62016875) is [3-(benzimidazol-1-ylmethyl)-4-methoxyphenyl]methanamine.
What is the SMILES notation for [3-(benzimidazol-1-ylmethyl)-4-methoxyphenyl]methanamine?
The canonical SMILES for [3-(benzimidazol-1-ylmethyl)-4-methoxyphenyl]methanamine is COc1ccc(CN)cc1Cn1cnc2ccccc21.
What is the InChIKey of [3-(benzimidazol-1-ylmethyl)-4-methoxyphenyl]methanamine?
The InChIKey is ZASIKBRVNIMUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-20-16-7-6-12(9-17)8-13(16)10-19-11-18-14-4-2-3-5-15(14)19/h2-8,11H,9-10,17H2,1H3.
What are the key properties of [3-(benzimidazol-1-ylmethyl)-4-methoxyphenyl]methanamine?
[3-(benzimidazol-1-ylmethyl)-4-methoxyphenyl]methanamine has a molecular weight of 267.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzimidazol-1-ylmethyl)-4-methoxyphenyl]methanamine is sourced from PubChem (CID 62016875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).