N-(1,2-dimethylbenzimidazol-5-yl)-6-methylquinazolin-4-amine

C18H17N5 — CID 133428184

IUPACN-(1,2-dimethylbenzimidazol-5-yl)-6-methylquinazolin-4-amine
SMILESCc1ccc2ncnc(Nc3ccc4c(c3)nc(C)n4C)c2c1
InChIInChI=1S/C18H17N5/c1-11-4-6-15-14(8-11)18(20-10-19-15)22-13-5-7-17-16(9-13)21-12(2)23(17)3/h4-10H,1-3H3,(H,19,20,22)
InChIKeyAFJRVYVOCKCLDJ-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.88
Rot. Bonds2

About N-(1,2-dimethylbenzimidazol-5-yl)-6-methylquinazolin-4-amine

N-(1,2-dimethylbenzimidazol-5-yl)-6-methylquinazolin-4-amine (PubChem CID 133428184) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-(1,2-dimethylbenzimidazol-5-yl)-6-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-(1,2-dimethylbenzimidazol-5-yl)-6-methylquinazolin-4-amine
PubChem CID133428184
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC NameN-(1,2-dimethylbenzimidazol-5-yl)-6-methylquinazolin-4-amine
SMILESCc1ccc2ncnc(Nc3ccc4c(c3)nc(C)n4C)c2c1
InChIInChI=1S/C18H17N5/c1-11-4-6-15-14(8-11)18(20-10-19-15)22-13-5-7-17-16(9-13)21-12(2)23(17)3/h4-10H,1-3H3,(H,19,20,22)
InChIKeyAFJRVYVOCKCLDJ-UHFFFAOYSA-N
XLogP3.88
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2-dimethylbenzimidazol-5-yl)-6-fluoroquinazolin-4-amine
CID 133428185
1,2-dimethyl-N-(3-methylphenyl)imidazo[4,5-g]quinazolin-8-amine
CID 15838095
6-methyl-N-(4-methylphenyl)quinazolin-4-amine
CID 5328827
ethane;6-methyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 143267063
N-(chloromethyl)-1,2-dimethylbenzimidazol-5-amine
CID 115262747
4-N-(3-bromophenyl)-6-N-[(2,5-dimethylphenyl)methyl]quinazoline-4,6-diamine
CID 11270441
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
N-tert-butyl-6-methylquinazolin-4-amine
CID 21002439
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
1-N-(1,2-dimethylbenzimidazol-5-yl)propane-1,2-diamine
CID 115196322
3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea
CID 110869161
5-[(1,2-dimethylbenzimidazol-5-yl)amino]pyrazine-2-carbonitrile
CID 133484842

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)-6-methylquinazolin-4-amine?
The IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)-6-methylquinazolin-4-amine (CID 133428184) is N-(1,2-dimethylbenzimidazol-5-yl)-6-methylquinazolin-4-amine.
What is the SMILES notation for N-(1,2-dimethylbenzimidazol-5-yl)-6-methylquinazolin-4-amine?
The canonical SMILES for N-(1,2-dimethylbenzimidazol-5-yl)-6-methylquinazolin-4-amine is Cc1ccc2ncnc(Nc3ccc4c(c3)nc(C)n4C)c2c1.
What is the InChIKey of N-(1,2-dimethylbenzimidazol-5-yl)-6-methylquinazolin-4-amine?
The InChIKey is AFJRVYVOCKCLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-11-4-6-15-14(8-11)18(20-10-19-15)22-13-5-7-17-16(9-13)21-12(2)23(17)3/h4-10H,1-3H3,(H,19,20,22).
What are the key properties of N-(1,2-dimethylbenzimidazol-5-yl)-6-methylquinazolin-4-amine?
N-(1,2-dimethylbenzimidazol-5-yl)-6-methylquinazolin-4-amine has a molecular weight of 303.37 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylbenzimidazol-5-yl)-6-methylquinazolin-4-amine is sourced from PubChem (CID 133428184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).