[2-[(3-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]methanamine

C16H17N3O — CID 79004539

IUPAC[2-[(3-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]methanamine
SMILESCOc1cccc(Cc2nc3ccc(CN)cc3[nH]2)c1
InChIInChI=1S/C16H17N3O/c1-20-13-4-2-3-11(7-13)9-16-18-14-6-5-12(10-17)8-15(14)19-16/h2-8H,9-10,17H2,1H3,(H,18,19)
InChIKeySFSGPJMJNJESPY-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.62
Rot. Bonds4

About [2-[(3-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]methanamine

[2-[(3-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]methanamine (PubChem CID 79004539) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is [2-[(3-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(3-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]methanamine
PubChem CID79004539
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name[2-[(3-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]methanamine
SMILESCOc1cccc(Cc2nc3ccc(CN)cc3[nH]2)c1
InChIInChI=1S/C16H17N3O/c1-20-13-4-2-3-11(7-13)9-16-18-14-6-5-12(10-17)8-15(14)19-16/h2-8H,9-10,17H2,1H3,(H,18,19)
InChIKeySFSGPJMJNJESPY-UHFFFAOYSA-N
XLogP2.62
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole
CID 65017876
[2-[(3-bromophenyl)methyl]-3H-benzimidazol-5-yl]methanamine
CID 79004444
2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole
CID 924813
[2-(2-methoxyethyl)-3H-benzimidazol-5-yl]methanamine
CID 79004507
[2-(methylaminomethyl)-3H-benzimidazol-5-yl]methanamine
CID 83949221
5-methoxy-2-[(3-methoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridine
CID 65483071
6-methoxy-2-(thiophen-3-ylmethyl)-1H-benzimidazole
CID 65017413
(2-butyl-3H-benzimidazol-5-yl)methanamine
CID 79004472
6-methoxy-2-[(3-methylphenoxy)methyl]-1H-benzimidazole
CID 27408365
[2-(3-methoxy-4-methylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004525
2-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethanamine
CID 62950738
5-bromo-2-[(3-methoxyphenyl)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106479173

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]methanamine?
The IUPAC name of [2-[(3-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]methanamine (CID 79004539) is [2-[(3-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-[(3-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]methanamine?
The canonical SMILES for [2-[(3-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]methanamine is COc1cccc(Cc2nc3ccc(CN)cc3[nH]2)c1.
What is the InChIKey of [2-[(3-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]methanamine?
The InChIKey is SFSGPJMJNJESPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-20-13-4-2-3-11(7-13)9-16-18-14-6-5-12(10-17)8-15(14)19-16/h2-8H,9-10,17H2,1H3,(H,18,19).
What are the key properties of [2-[(3-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]methanamine?
[2-[(3-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]methanamine has a molecular weight of 267.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]methanamine is sourced from PubChem (CID 79004539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).