4-[(1,2-dimethylbenzimidazol-5-yl)iminomethyl]phenol

C16H15N3O — CID 3806220

IUPAC4-[(1,2-dimethylbenzimidazol-5-yl)iminomethyl]phenol
SMILESCc1nc2cc(/N=C/c3ccc(O)cc3)ccc2n1C
InChIInChI=1S/C16H15N3O/c1-11-18-15-9-13(5-8-16(15)19(11)2)17-10-12-3-6-14(20)7-4-12/h3-10,20H,1-2H3/b17-10+
InChIKeyMTRNDPZUEBIPQA-LICLKQGHSA-N
MW265.32 g/mol
LogP3.34
Rot. Bonds2

About 4-[(1,2-dimethylbenzimidazol-5-yl)iminomethyl]phenol

4-[(1,2-dimethylbenzimidazol-5-yl)iminomethyl]phenol (PubChem CID 3806220) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[(1,2-dimethylbenzimidazol-5-yl)iminomethyl]phenol.

Molecular Properties

Compound Name4-[(1,2-dimethylbenzimidazol-5-yl)iminomethyl]phenol
PubChem CID3806220
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-[(1,2-dimethylbenzimidazol-5-yl)iminomethyl]phenol
SMILESCc1nc2cc(/N=C/c3ccc(O)cc3)ccc2n1C
InChIInChI=1S/C16H15N3O/c1-11-18-15-9-13(5-8-16(15)19(11)2)17-10-12-3-6-14(20)7-4-12/h3-10,20H,1-2H3/b17-10+
InChIKeyMTRNDPZUEBIPQA-LICLKQGHSA-N
XLogP3.34
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,2-dimethylbenzimidazol-5-yl)iminomethyl]phenol?
The IUPAC name of 4-[(1,2-dimethylbenzimidazol-5-yl)iminomethyl]phenol (CID 3806220) is 4-[(1,2-dimethylbenzimidazol-5-yl)iminomethyl]phenol.
What is the SMILES notation for 4-[(1,2-dimethylbenzimidazol-5-yl)iminomethyl]phenol?
The canonical SMILES for 4-[(1,2-dimethylbenzimidazol-5-yl)iminomethyl]phenol is Cc1nc2cc(/N=C/c3ccc(O)cc3)ccc2n1C.
What is the InChIKey of 4-[(1,2-dimethylbenzimidazol-5-yl)iminomethyl]phenol?
The InChIKey is MTRNDPZUEBIPQA-LICLKQGHSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-18-15-9-13(5-8-16(15)19(11)2)17-10-12-3-6-14(20)7-4-12/h3-10,20H,1-2H3/b17-10+.
What are the key properties of 4-[(1,2-dimethylbenzimidazol-5-yl)iminomethyl]phenol?
4-[(1,2-dimethylbenzimidazol-5-yl)iminomethyl]phenol has a molecular weight of 265.32 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,2-dimethylbenzimidazol-5-yl)iminomethyl]phenol is sourced from PubChem (CID 3806220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).