5-[2-(3,4-dichlorophenyl)-3-hydroxybenzimidazol-5-yl]-6-ethylpyrimidine-2,4-diamine

C19H16Cl2N6O — CID 11452730

IUPAC5-[2-(3,4-dichlorophenyl)-3-hydroxybenzimidazol-5-yl]-6-ethylpyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ccc2nc(-c3ccc(Cl)c(Cl)c3)n(O)c2c1
InChIInChI=1S/C19H16Cl2N6O/c1-2-13-16(17(22)26-19(23)25-13)9-4-6-14-15(8-9)27(28)18(24-14)10-3-5-11(20)12(21)7-10/h3-8,28H,2H2,1H3,(H4,22,23,25,26)
InChIKeyDAPVTGBWPNUVCM-UHFFFAOYSA-N
MW415.28 g/mol
LogP4.43
Rot. Bonds3

About 5-[2-(3,4-dichlorophenyl)-3-hydroxybenzimidazol-5-yl]-6-ethylpyrimidine-2,4-diamine

5-[2-(3,4-dichlorophenyl)-3-hydroxybenzimidazol-5-yl]-6-ethylpyrimidine-2,4-diamine (PubChem CID 11452730) has the molecular formula C19H16Cl2N6O and a molecular weight of 415.28 g/mol. Its IUPAC name is 5-[2-(3,4-dichlorophenyl)-3-hydroxybenzimidazol-5-yl]-6-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[2-(3,4-dichlorophenyl)-3-hydroxybenzimidazol-5-yl]-6-ethylpyrimidine-2,4-diamine
PubChem CID11452730
Molecular FormulaC19H16Cl2N6O
Molecular Weight415.28 g/mol
Exact Mass414.08
IUPAC Name5-[2-(3,4-dichlorophenyl)-3-hydroxybenzimidazol-5-yl]-6-ethylpyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ccc2nc(-c3ccc(Cl)c(Cl)c3)n(O)c2c1
InChIInChI=1S/C19H16Cl2N6O/c1-2-13-16(17(22)26-19(23)25-13)9-4-6-14-15(8-9)27(28)18(24-14)10-3-5-11(20)12(21)7-10/h3-8,28H,2H2,1H3,(H4,22,23,25,26)
InChIKeyDAPVTGBWPNUVCM-UHFFFAOYSA-N
XLogP4.43
TPSA115.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[2-(3,4-dichlorophenyl)-3-hydroxybenzimidazol-5-yl]-6-ethylpyrimidine-2,4-diamine 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

5-[2-(4-chlorophenyl)-3-hydroxybenzimidazol-5-yl]-6-ethylpyrimidine-2,4-diamine
CID 11417648
6-ethyl-5-[3-hydroxy-2-(4-methylphenyl)benzimidazol-5-yl]pyrimidine-2,4-diamine
CID 11314395
4-(6-ethyl-1-hydroxybenzimidazol-2-yl)aniline
CID 91426634
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;N-methylmethanamine
CID 168990564
5-[4-chloro-3-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine
CID 134112066
5-[4-chloro-3-(cyclopentylamino)phenyl]-6-ethylpyrimidine-2,4-diamine;trihydrochloride
CID 134124738
2-amino-4-(3,4-dichlorophenyl)-6-ethyl-5-methylpyridine-3-carbonitrile
CID 4634661
5-(2,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10902094
5-(4-chlorophenyl)-4,6-diethylpyrimidin-2-amine
CID 25099412
2-[butyl-[[2-chloro-5-(2,4-diamino-6-ethylpyrimidin-5-yl)phenyl]diazenyl]amino]ethanol
CID 19962304
4-(2,4-diamino-6-ethylpyrimidin-5-yl)benzaldehyde
CID 86061883
6-ethyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 10265764

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dichlorophenyl)-3-hydroxybenzimidazol-5-yl]-6-ethylpyrimidine-2,4-diamine?
The IUPAC name of 5-[2-(3,4-dichlorophenyl)-3-hydroxybenzimidazol-5-yl]-6-ethylpyrimidine-2,4-diamine (CID 11452730) is 5-[2-(3,4-dichlorophenyl)-3-hydroxybenzimidazol-5-yl]-6-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-[2-(3,4-dichlorophenyl)-3-hydroxybenzimidazol-5-yl]-6-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-[2-(3,4-dichlorophenyl)-3-hydroxybenzimidazol-5-yl]-6-ethylpyrimidine-2,4-diamine is CCc1nc(N)nc(N)c1-c1ccc2nc(-c3ccc(Cl)c(Cl)c3)n(O)c2c1.
What is the InChIKey of 5-[2-(3,4-dichlorophenyl)-3-hydroxybenzimidazol-5-yl]-6-ethylpyrimidine-2,4-diamine?
The InChIKey is DAPVTGBWPNUVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N6O/c1-2-13-16(17(22)26-19(23)25-13)9-4-6-14-15(8-9)27(28)18(24-14)10-3-5-11(20)12(21)7-10/h3-8,28H,2H2,1H3,(H4,22,23,25,26).
What are the key properties of 5-[2-(3,4-dichlorophenyl)-3-hydroxybenzimidazol-5-yl]-6-ethylpyrimidine-2,4-diamine?
5-[2-(3,4-dichlorophenyl)-3-hydroxybenzimidazol-5-yl]-6-ethylpyrimidine-2,4-diamine has a molecular weight of 415.28 g/mol, XLogP of 4.43, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dichlorophenyl)-3-hydroxybenzimidazol-5-yl]-6-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 11452730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).