N-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methylquinazolin-2-amine

C18H17N5 — CID 70889870

IUPACN-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methylquinazolin-2-amine
SMILESCc1ccc2nc(Nc3nc4cc(C)c(C)cc4[nH]3)ncc2c1
InChIInChI=1S/C18H17N5/c1-10-4-5-14-13(6-10)9-19-17(20-14)23-18-21-15-7-11(2)12(3)8-16(15)22-18/h4-9H,1-3H3,(H2,19,20,21,22,23)
InChIKeyFQCOEPBBFQADHA-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.17
Rot. Bonds2

About N-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methylquinazolin-2-amine

N-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methylquinazolin-2-amine (PubChem CID 70889870) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methylquinazolin-2-amine.

Molecular Properties

Compound NameN-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methylquinazolin-2-amine
PubChem CID70889870
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC NameN-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methylquinazolin-2-amine
SMILESCc1ccc2nc(Nc3nc4cc(C)c(C)cc4[nH]3)ncc2c1
InChIInChI=1S/C18H17N5/c1-10-4-5-14-13(6-10)9-19-17(20-14)23-18-21-15-7-11(2)12(3)8-16(15)22-18/h4-9H,1-3H3,(H2,19,20,21,22,23)
InChIKeyFQCOEPBBFQADHA-UHFFFAOYSA-N
XLogP4.17
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methylquinazolin-2-amine?
The IUPAC name of N-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methylquinazolin-2-amine (CID 70889870) is N-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methylquinazolin-2-amine.
What is the SMILES notation for N-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methylquinazolin-2-amine?
The canonical SMILES for N-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methylquinazolin-2-amine is Cc1ccc2nc(Nc3nc4cc(C)c(C)cc4[nH]3)ncc2c1.
What is the InChIKey of N-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methylquinazolin-2-amine?
The InChIKey is FQCOEPBBFQADHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-10-4-5-14-13(6-10)9-19-17(20-14)23-18-21-15-7-11(2)12(3)8-16(15)22-18/h4-9H,1-3H3,(H2,19,20,21,22,23).
What are the key properties of N-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methylquinazolin-2-amine?
N-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methylquinazolin-2-amine has a molecular weight of 303.37 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methylquinazolin-2-amine is sourced from PubChem (CID 70889870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).