2,6-dichloro-4-[(1-methylbenzimidazol-2-yl)methylamino]phenol

C15H13Cl2N3O — CID 107679286

IUPAC2,6-dichloro-4-[(1-methylbenzimidazol-2-yl)methylamino]phenol
SMILESCn1c(CNc2cc(Cl)c(O)c(Cl)c2)nc2ccccc21
InChIInChI=1S/C15H13Cl2N3O/c1-20-13-5-3-2-4-12(13)19-14(20)8-18-9-6-10(16)15(21)11(17)7-9/h2-7,18,21H,8H2,1H3
InChIKeyPCEXMSNPPCLCQZ-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.20
Rot. Bonds3

About 2,6-dichloro-4-[(1-methylbenzimidazol-2-yl)methylamino]phenol

2,6-dichloro-4-[(1-methylbenzimidazol-2-yl)methylamino]phenol (PubChem CID 107679286) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is 2,6-dichloro-4-[(1-methylbenzimidazol-2-yl)methylamino]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[(1-methylbenzimidazol-2-yl)methylamino]phenol
PubChem CID107679286
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2,6-dichloro-4-[(1-methylbenzimidazol-2-yl)methylamino]phenol
SMILESCn1c(CNc2cc(Cl)c(O)c(Cl)c2)nc2ccccc21
InChIInChI=1S/C15H13Cl2N3O/c1-20-13-5-3-2-4-12(13)19-14(20)8-18-9-6-10(16)15(21)11(17)7-9/h2-7,18,21H,8H2,1H3
InChIKeyPCEXMSNPPCLCQZ-UHFFFAOYSA-N
XLogP4.20
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-4-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107572808
2-chloro-5-[(1-methylbenzimidazol-2-yl)methylamino]benzonitrile
CID 63756584
4-[(1-methylbenzimidazol-2-yl)methylamino]benzamide
CID 63757268
2-bromo-5-chloro-4-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 104722911
6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]pyridin-3-amine
CID 103825773
2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 974484
methyl 2-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]acetate
CID 75518351
N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
CID 110712040
4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol
CID 60833755
1-[[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-ol
CID 138043126
4-chloro-2-[(1-methylbenzimidazol-2-yl)methylamino]benzonitrile
CID 63756412

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(1-methylbenzimidazol-2-yl)methylamino]phenol?
The IUPAC name of 2,6-dichloro-4-[(1-methylbenzimidazol-2-yl)methylamino]phenol (CID 107679286) is 2,6-dichloro-4-[(1-methylbenzimidazol-2-yl)methylamino]phenol.
What is the SMILES notation for 2,6-dichloro-4-[(1-methylbenzimidazol-2-yl)methylamino]phenol?
The canonical SMILES for 2,6-dichloro-4-[(1-methylbenzimidazol-2-yl)methylamino]phenol is Cn1c(CNc2cc(Cl)c(O)c(Cl)c2)nc2ccccc21.
What is the InChIKey of 2,6-dichloro-4-[(1-methylbenzimidazol-2-yl)methylamino]phenol?
The InChIKey is PCEXMSNPPCLCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c1-20-13-5-3-2-4-12(13)19-14(20)8-18-9-6-10(16)15(21)11(17)7-9/h2-7,18,21H,8H2,1H3.
What are the key properties of 2,6-dichloro-4-[(1-methylbenzimidazol-2-yl)methylamino]phenol?
2,6-dichloro-4-[(1-methylbenzimidazol-2-yl)methylamino]phenol has a molecular weight of 322.20 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[(1-methylbenzimidazol-2-yl)methylamino]phenol is sourced from PubChem (CID 107679286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).