N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine;1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde

C51H43N5O3 — CID 159224307

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine;1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde
SMILESCOc1ccc(C/N=C/c2nc3c(-c4ccccc4)ccc(-c4ccccc4)c3n2C)c(OC)c1.Cn1c(C=O)nc2c(-c3ccccc3)ccc(-c3ccccc3)c21
InChIInChI=1S/C30H27N3O2.C21H16N2O/c1-33-28(20-31-19-23-14-15-24(34-2)18-27(23)35-3)32-29-25(21-10-6-4-7-11-21)16-17-26(30(29)33)22-12-8-5-9-13-22;1-23-19(14-24)22-20-17(15-8-4-2-5-9-15)12-13-18(21(20)23)16-10-6-3-7-11-16/h4-18,20H,19H2,1-3H3;2-14H,1H3/b31-20+;
InChIKeyKSCARHNKJTVKBZ-CVHNRXSESA-N
MW773.94 g/mol
LogP11.26
Rot. Bonds10

About N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine;1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde

N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine;1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde (PubChem CID 159224307) has the molecular formula C51H43N5O3 and a molecular weight of 773.94 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine;1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine;1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde
PubChem CID159224307
Molecular FormulaC51H43N5O3
Molecular Weight773.94 g/mol
Exact Mass773.34
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine;1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde
SMILESCOc1ccc(C/N=C/c2nc3c(-c4ccccc4)ccc(-c4ccccc4)c3n2C)c(OC)c1.Cn1c(C=O)nc2c(-c3ccccc3)ccc(-c3ccccc3)c21
InChIInChI=1S/C30H27N3O2.C21H16N2O/c1-33-28(20-31-19-23-14-15-24(34-2)18-27(23)35-3)32-29-25(21-10-6-4-7-11-21)16-17-26(30(29)33)22-12-8-5-9-13-22;1-23-19(14-24)22-20-17(15-8-4-2-5-9-15)12-13-18(21(20)23)16-10-6-3-7-11-16/h4-18,20H,19H2,1-3H3;2-14H,1H3/b31-20+;
InChIKeyKSCARHNKJTVKBZ-CVHNRXSESA-N
XLogP11.26
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.94
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine;1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde 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

1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde
CID 21107908
4-methoxy-1-methylbenzimidazole-2-carbaldehyde
CID 82404130
2-(2,4-dimethoxyphenyl)-1-phenylethanone
CID 10467591
2-[(2,4-dimethoxyphenyl)methylimino]-N-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)ethanesulfonamide
CID 123302179
(5-methoxy-2-phenylphenyl) carbamate
CID 121375018
2-[2-(2,4-dimethoxyphenyl)-4,5-diphenylimidazol-1-yl]ethanol
CID 122385213
3-(2,4-dimethoxyphenyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
CID 122187196
4,7-bis(2,4-dimethoxyphenyl)-2,9-diphenyl-1,10-phenanthroline
CID 70909545
N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-5-phenyl-1,3-oxazole-4-carboxamide
CID 141373361
4-[(2,4-dimethoxyphenyl)methoxy]-2-phenyl-1,3-benzoxazole
CID 102167898
N-[(2,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
CID 2837790
4-(2,4-dimethoxyphenyl)-1,2-diphenylimidazole
CID 71614056

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine;1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine;1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde (CID 159224307) is N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine;1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine;1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine;1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde is COc1ccc(C/N=C/c2nc3c(-c4ccccc4)ccc(-c4ccccc4)c3n2C)c(OC)c1.Cn1c(C=O)nc2c(-c3ccccc3)ccc(-c3ccccc3)c21.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine;1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde?
The InChIKey is KSCARHNKJTVKBZ-CVHNRXSESA-N. The full InChI is InChI=1S/C30H27N3O2.C21H16N2O/c1-33-28(20-31-19-23-14-15-24(34-2)18-27(23)35-3)32-29-25(21-10-6-4-7-11-21)16-17-26(30(29)33)22-12-8-5-9-13-22;1-23-19(14-24)22-20-17(15-8-4-2-5-9-15)12-13-18(21(20)23)16-10-6-3-7-11-16/h4-18,20H,19H2,1-3H3;2-14H,1H3/b31-20+;.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine;1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde?
N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine;1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde has a molecular weight of 773.94 g/mol, XLogP of 11.26, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine;1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde is sourced from PubChem (CID 159224307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).