[4-(5,6-dimethoxybenzimidazol-1-yl)phenyl]methanamine

C16H17N3O2 — CID 22693579

IUPAC[4-(5,6-dimethoxybenzimidazol-1-yl)phenyl]methanamine
SMILESCOc1cc2ncn(-c3ccc(CN)cc3)c2cc1OC
InChIInChI=1S/C16H17N3O2/c1-20-15-7-13-14(8-16(15)21-2)19(10-18-13)12-5-3-11(9-17)4-6-12/h3-8,10H,9,17H2,1-2H3
InChIKeyPMSYXMITGMVFSI-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.50
Rot. Bonds4

About [4-(5,6-dimethoxybenzimidazol-1-yl)phenyl]methanamine

[4-(5,6-dimethoxybenzimidazol-1-yl)phenyl]methanamine (PubChem CID 22693579) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is [4-(5,6-dimethoxybenzimidazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(5,6-dimethoxybenzimidazol-1-yl)phenyl]methanamine
PubChem CID22693579
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name[4-(5,6-dimethoxybenzimidazol-1-yl)phenyl]methanamine
SMILESCOc1cc2ncn(-c3ccc(CN)cc3)c2cc1OC
InChIInChI=1S/C16H17N3O2/c1-20-15-7-13-14(8-16(15)21-2)19(10-18-13)12-5-3-11(9-17)4-6-12/h3-8,10H,9,17H2,1-2H3
InChIKeyPMSYXMITGMVFSI-UHFFFAOYSA-N
XLogP2.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

S-[2-[4-(5,6-dimethoxybenzimidazol-1-yl)phenyl]ethylamino]thiohydroxylamine
CID 142539714
5,6-dimethoxy-1-[4-[(sulfinatoamino)methyl]phenyl]benzimidazole
CID 155099993
1-[1-[4-(aminomethyl)phenyl]benzimidazol-5-yl]-N-methylmethanamine oxide
CID 170038782
[4-(benzimidazol-1-yl)-3-methoxyphenyl]methanamine
CID 141496623
1-[4-[5-(aminomethyl)benzimidazol-1-yl]-2,6-dimethoxyphenyl]-4,4,4-trifluorobutan-1-one
CID 158364413
[4-(6-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methanamine
CID 141304295
[4-[(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)methyl]phenyl]methanamine
CID 82150142
6-bromo-1-(3,4-dimethoxyphenyl)benzimidazole
CID 126648647
1-(4-methoxyphenyl)benzimidazol-5-amine
CID 783122
[4-[3-(4-methoxyphenyl)benzimidazol-5-yl]phenyl]methanol
CID 139571338
3-[(4-carbamoylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide
CID 59855193
4-[5-(2-methoxyethoxy)benzimidazol-1-yl]aniline
CID 130424385

Frequently Asked Questions

What is the IUPAC name of [4-(5,6-dimethoxybenzimidazol-1-yl)phenyl]methanamine?
The IUPAC name of [4-(5,6-dimethoxybenzimidazol-1-yl)phenyl]methanamine (CID 22693579) is [4-(5,6-dimethoxybenzimidazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-(5,6-dimethoxybenzimidazol-1-yl)phenyl]methanamine?
The canonical SMILES for [4-(5,6-dimethoxybenzimidazol-1-yl)phenyl]methanamine is COc1cc2ncn(-c3ccc(CN)cc3)c2cc1OC.
What is the InChIKey of [4-(5,6-dimethoxybenzimidazol-1-yl)phenyl]methanamine?
The InChIKey is PMSYXMITGMVFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-20-15-7-13-14(8-16(15)21-2)19(10-18-13)12-5-3-11(9-17)4-6-12/h3-8,10H,9,17H2,1-2H3.
What are the key properties of [4-(5,6-dimethoxybenzimidazol-1-yl)phenyl]methanamine?
[4-(5,6-dimethoxybenzimidazol-1-yl)phenyl]methanamine has a molecular weight of 283.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5,6-dimethoxybenzimidazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 22693579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).