2-(2-aminobenzimidazol-1-yl)-4,6-dimethylphenol

C15H15N3O — CID 164618376

IUPAC2-(2-aminobenzimidazol-1-yl)-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(-n2c(N)nc3ccccc32)c1
InChIInChI=1S/C15H15N3O/c1-9-7-10(2)14(19)13(8-9)18-12-6-4-3-5-11(12)17-15(18)16/h3-8,19H,1-2H3,(H2,16,17)
InChIKeyNOBXYIWAJXAKSC-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.93
Rot. Bonds1

About 2-(2-aminobenzimidazol-1-yl)-4,6-dimethylphenol

2-(2-aminobenzimidazol-1-yl)-4,6-dimethylphenol (PubChem CID 164618376) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(2-aminobenzimidazol-1-yl)-4,6-dimethylphenol.

Molecular Properties

Compound Name2-(2-aminobenzimidazol-1-yl)-4,6-dimethylphenol
PubChem CID164618376
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-(2-aminobenzimidazol-1-yl)-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(-n2c(N)nc3ccccc32)c1
InChIInChI=1S/C15H15N3O/c1-9-7-10(2)14(19)13(8-9)18-12-6-4-3-5-11(12)17-15(18)16/h3-8,19H,1-2H3,(H2,16,17)
InChIKeyNOBXYIWAJXAKSC-UHFFFAOYSA-N
XLogP2.93
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2-methylphenyl)benzimidazol-5-ol
CID 84799586
5-methyl-1-(2-methylphenyl)benzimidazol-2-amine
CID 43661880
2-(benzotriazol-2-yl)-4,6-dimethylphenol
CID 90698610
[4-(2-aminobenzimidazol-1-yl)naphthalen-1-yl]boronic acid
CID 140707648
3-(2-aminobenzimidazol-1-yl)-4-methylbenzonitrile
CID 62104310
1-(2-iodophenyl)-5-methylbenzimidazol-2-amine
CID 43661748
2-amino-3-(3,5-dimethylphenyl)benzimidazol-5-ol
CID 102225118
1-(2,5-dimethoxyphenyl)benzimidazol-2-amine
CID 43148885
6-chloro-1-(2-methylphenyl)benzimidazol-2-amine
CID 115470391
3-methyl-4-[2-(2-methylphenyl)benzimidazol-1-yl]phenol
CID 57424050
3-(2-amino-5-methylbenzimidazol-1-yl)phenol
CID 84799591
6,8,10-trimethylindolo[1,2-a]quinoxalin-7-ol
CID 135762578

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobenzimidazol-1-yl)-4,6-dimethylphenol?
The IUPAC name of 2-(2-aminobenzimidazol-1-yl)-4,6-dimethylphenol (CID 164618376) is 2-(2-aminobenzimidazol-1-yl)-4,6-dimethylphenol.
What is the SMILES notation for 2-(2-aminobenzimidazol-1-yl)-4,6-dimethylphenol?
The canonical SMILES for 2-(2-aminobenzimidazol-1-yl)-4,6-dimethylphenol is Cc1cc(C)c(O)c(-n2c(N)nc3ccccc32)c1.
What is the InChIKey of 2-(2-aminobenzimidazol-1-yl)-4,6-dimethylphenol?
The InChIKey is NOBXYIWAJXAKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-9-7-10(2)14(19)13(8-9)18-12-6-4-3-5-11(12)17-15(18)16/h3-8,19H,1-2H3,(H2,16,17).
What are the key properties of 2-(2-aminobenzimidazol-1-yl)-4,6-dimethylphenol?
2-(2-aminobenzimidazol-1-yl)-4,6-dimethylphenol has a molecular weight of 253.31 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobenzimidazol-1-yl)-4,6-dimethylphenol is sourced from PubChem (CID 164618376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).