2,6-bis(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-4-methylphenol

C35H26N6O — CID 136742168

IUPAC2,6-bis(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-4-methylphenol
SMILESCc1cc(C2Nc3ccccc3-c3nc4ccccc4n32)c(O)c(C2Nc3ccccc3-c3nc4ccccc4n32)c1
InChIInChI=1S/C35H26N6O/c1-20-18-23(34-36-25-12-4-2-10-21(25)32-38-27-14-6-8-16-29(27)40(32)34)31(42)24(19-20)35-37-26-13-5-3-11-22(26)33-39-28-15-7-9-17-30(28)41(33)35/h2-19,34-37,42H,1H3
InChIKeyJQXZQSPRJLCYJD-UHFFFAOYSA-N
MW546.63 g/mol
LogP7.68
Rot. Bonds2

About 2,6-bis(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-4-methylphenol

2,6-bis(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-4-methylphenol (PubChem CID 136742168) has the molecular formula C35H26N6O and a molecular weight of 546.63 g/mol. Its IUPAC name is 2,6-bis(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-4-methylphenol.

Molecular Properties

Compound Name2,6-bis(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-4-methylphenol
PubChem CID136742168
Molecular FormulaC35H26N6O
Molecular Weight546.63 g/mol
Exact Mass546.22
IUPAC Name2,6-bis(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-4-methylphenol
SMILESCc1cc(C2Nc3ccccc3-c3nc4ccccc4n32)c(O)c(C2Nc3ccccc3-c3nc4ccccc4n32)c1
InChIInChI=1S/C35H26N6O/c1-20-18-23(34-36-25-12-4-2-10-21(25)32-38-27-14-6-8-16-29(27)40(32)34)31(42)24(19-20)35-37-26-13-5-3-11-22(26)33-39-28-15-7-9-17-30(28)41(33)35/h2-19,34-37,42H,1H3
InChIKeyJQXZQSPRJLCYJD-UHFFFAOYSA-N
XLogP7.68
TPSA79.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.63
LogP ≤ 57.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2,6-bis(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-4-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol
CID 715143
4-Methyl-2-[[(1-propan-2-ylbenzimidazol-2-yl)amino]methyl]phenol
CID 930436
2-(((1-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-2-yl)amino)methyl)phenol
CID 1090110
2-[[(1-Methylbenzimidazol-2-yl)amino]methyl]-6-prop-2-enylphenol
CID 889915
(S)-4-Methyl-2-(4-(pyrrolidin-3-ylamino)quinazolin-2-yl)phenol
CID 135921361
2-[[2-(1H-benzimidazol-2-ylamino)ethyl-ethylamino]methyl]-4-methylphenol
CID 155527978
2-Methyl-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168274980
2,6-Dimethyl-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168280997
4-methyl-2-{[(1-methyl-1H-benzimidazol-2-yl)amino]methyl}phenol
CID 787406
2-allyl-6-(((1-propyl-1H-benzo[d]imidazol-2-yl)amino)methyl)phenol
CID 889692
2-{[(1-butyl-1H-benzimidazol-2-yl)amino]methyl}-4-methylphenol
CID 2902650
2-Allyl-6-[(1-ethyl-1H-benzoimidazol-2-ylamino)-methyl]-phenol
CID 647608

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-4-methylphenol?
The IUPAC name of 2,6-bis(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-4-methylphenol (CID 136742168) is 2,6-bis(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-4-methylphenol.
What is the SMILES notation for 2,6-bis(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-4-methylphenol?
The canonical SMILES for 2,6-bis(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-4-methylphenol is Cc1cc(C2Nc3ccccc3-c3nc4ccccc4n32)c(O)c(C2Nc3ccccc3-c3nc4ccccc4n32)c1.
What is the InChIKey of 2,6-bis(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-4-methylphenol?
The InChIKey is JQXZQSPRJLCYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N6O/c1-20-18-23(34-36-25-12-4-2-10-21(25)32-38-27-14-6-8-16-29(27)40(32)34)31(42)24(19-20)35-37-26-13-5-3-11-22(26)33-39-28-15-7-9-17-30(28)41(33)35/h2-19,34-37,42H,1H3.
What are the key properties of 2,6-bis(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-4-methylphenol?
2,6-bis(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-4-methylphenol has a molecular weight of 546.63 g/mol, XLogP of 7.68, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-4-methylphenol is sourced from PubChem (CID 136742168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).