1-methyl-6-[[4-methyl-6-(methyliminomethyl)-3-pyridinyl]oxy]benzimidazol-4-amine

C16H17N5O — CID 163940698

IUPAC1-methyl-6-[[4-methyl-6-(methyliminomethyl)-3-pyridinyl]oxy]benzimidazol-4-amine
SMILESC/N=C/c1cc(C)c(Oc2cc(N)c3ncn(C)c3c2)cn1
InChIInChI=1S/C16H17N5O/c1-10-4-11(7-18-2)19-8-15(10)22-12-5-13(17)16-14(6-12)21(3)9-20-16/h4-9H,17H2,1-3H3/b18-7+
InChIKeyRQSJTLCHZZGEIK-CNHKJKLMSA-N
MW295.35 g/mol
LogP2.70
Rot. Bonds3

About 1-methyl-6-[[4-methyl-6-(methyliminomethyl)-3-pyridinyl]oxy]benzimidazol-4-amine

1-methyl-6-[[4-methyl-6-(methyliminomethyl)-3-pyridinyl]oxy]benzimidazol-4-amine (PubChem CID 163940698) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-methyl-6-[[4-methyl-6-(methyliminomethyl)-3-pyridinyl]oxy]benzimidazol-4-amine.

Molecular Properties

Compound Name1-methyl-6-[[4-methyl-6-(methyliminomethyl)-3-pyridinyl]oxy]benzimidazol-4-amine
PubChem CID163940698
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name1-methyl-6-[[4-methyl-6-(methyliminomethyl)-3-pyridinyl]oxy]benzimidazol-4-amine
SMILESC/N=C/c1cc(C)c(Oc2cc(N)c3ncn(C)c3c2)cn1
InChIInChI=1S/C16H17N5O/c1-10-4-11(7-18-2)19-8-15(10)22-12-5-13(17)16-14(6-12)21(3)9-20-16/h4-9H,17H2,1-3H3/b18-7+
InChIKeyRQSJTLCHZZGEIK-CNHKJKLMSA-N
XLogP2.70
TPSA78.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,4,6-trimethylbenzimidazol-5-amine
CID 146288405
2-methyl-4-(1-methylimidazo[4,5-c]pyridin-4-yl)oxyaniline
CID 103385875
4-bromo-1,6-dimethylbenzimidazol-5-amine
CID 155332352
(2R)-N-[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 135293094
1,6-dimethylimidazo[4,5-c]pyridin-4-amine
CID 141069874
2-methyl-3-(1-methylimidazo[4,5-c]pyridin-4-yl)oxyaniline
CID 103385883
3-methyl-4-[1-(trideuteriomethyl)benzimidazol-5-yl]oxyaniline
CID 164561839
4-bromo-1,6-dimethylbenzimidazole
CID 68775248
1,7-dimethylbenzimidazol-4-amine
CID 59319967
5-ethyl-2-(1-methylimidazo[4,5-c]pyridin-4-yl)oxyaniline
CID 103385898
4-(methyliminomethyl)pyridin-3-amine
CID 90929326
6-ethenyl-4-methylpyridin-3-amine
CID 74888522

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[[4-methyl-6-(methyliminomethyl)-3-pyridinyl]oxy]benzimidazol-4-amine?
The IUPAC name of 1-methyl-6-[[4-methyl-6-(methyliminomethyl)-3-pyridinyl]oxy]benzimidazol-4-amine (CID 163940698) is 1-methyl-6-[[4-methyl-6-(methyliminomethyl)-3-pyridinyl]oxy]benzimidazol-4-amine.
What is the SMILES notation for 1-methyl-6-[[4-methyl-6-(methyliminomethyl)-3-pyridinyl]oxy]benzimidazol-4-amine?
The canonical SMILES for 1-methyl-6-[[4-methyl-6-(methyliminomethyl)-3-pyridinyl]oxy]benzimidazol-4-amine is C/N=C/c1cc(C)c(Oc2cc(N)c3ncn(C)c3c2)cn1.
What is the InChIKey of 1-methyl-6-[[4-methyl-6-(methyliminomethyl)-3-pyridinyl]oxy]benzimidazol-4-amine?
The InChIKey is RQSJTLCHZZGEIK-CNHKJKLMSA-N. The full InChI is InChI=1S/C16H17N5O/c1-10-4-11(7-18-2)19-8-15(10)22-12-5-13(17)16-14(6-12)21(3)9-20-16/h4-9H,17H2,1-3H3/b18-7+.
What are the key properties of 1-methyl-6-[[4-methyl-6-(methyliminomethyl)-3-pyridinyl]oxy]benzimidazol-4-amine?
1-methyl-6-[[4-methyl-6-(methyliminomethyl)-3-pyridinyl]oxy]benzimidazol-4-amine has a molecular weight of 295.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[[4-methyl-6-(methyliminomethyl)-3-pyridinyl]oxy]benzimidazol-4-amine is sourced from PubChem (CID 163940698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).