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

C17H14FN5 — CID 133428185

IUPACN-(1,2-dimethylbenzimidazol-5-yl)-6-fluoroquinazolin-4-amine
SMILESCc1nc2cc(Nc3ncnc4ccc(F)cc34)ccc2n1C
InChIInChI=1S/C17H14FN5/c1-10-21-15-8-12(4-6-16(15)23(10)2)22-17-13-7-11(18)3-5-14(13)19-9-20-17/h3-9H,1-2H3,(H,19,20,22)
InChIKeyYMPSQMAAUANJCP-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.71
Rot. Bonds2

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

N-(1,2-dimethylbenzimidazol-5-yl)-6-fluoroquinazolin-4-amine (PubChem CID 133428185) has the molecular formula C17H14FN5 and a molecular weight of 307.33 g/mol. Its IUPAC name is N-(1,2-dimethylbenzimidazol-5-yl)-6-fluoroquinazolin-4-amine.

Molecular Properties

Compound NameN-(1,2-dimethylbenzimidazol-5-yl)-6-fluoroquinazolin-4-amine
PubChem CID133428185
Molecular FormulaC17H14FN5
Molecular Weight307.33 g/mol
Exact Mass307.12
IUPAC NameN-(1,2-dimethylbenzimidazol-5-yl)-6-fluoroquinazolin-4-amine
SMILESCc1nc2cc(Nc3ncnc4ccc(F)cc34)ccc2n1C
InChIInChI=1S/C17H14FN5/c1-10-21-15-8-12(4-6-16(15)23(10)2)22-17-13-7-11(18)3-5-14(13)19-9-20-17/h3-9H,1-2H3,(H,19,20,22)
InChIKeyYMPSQMAAUANJCP-UHFFFAOYSA-N
XLogP3.71
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2-dimethylbenzimidazol-5-yl)-6-methylquinazolin-4-amine
CID 133428184
1,2-dimethyl-N-(3-methylphenyl)imidazo[4,5-g]quinazolin-8-amine
CID 15838095
methyl 3-[(6-fluoroquinazolin-4-yl)amino]benzoate
CID 110434578
4-N-(4-fluorophenyl)quinazoline-4,6-diamine
CID 64590257
3-[(6-fluoroquinazolin-4-yl)amino]benzonitrile
CID 46879811
6-methyl-N-(4-methylphenyl)quinazolin-4-amine
CID 5328827
4-N-(4-fluoro-3-methylphenyl)-6-N-methylquinazoline-4,6-diamine
CID 142342890
6-fluoro-N-propan-2-ylquinazolin-4-amine
CID 71684168
1-[4-[(6-fluoroquinazolin-4-yl)amino]phenyl]pyrrolidin-2-one
CID 133425306
4-N-(3-fluoro-5-methylphenyl)quinazoline-4,6-diamine
CID 79048465
6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54550318
6-fluoro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)quinazolin-4-amine
CID 136539301

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)-6-fluoroquinazolin-4-amine?
The IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)-6-fluoroquinazolin-4-amine (CID 133428185) is N-(1,2-dimethylbenzimidazol-5-yl)-6-fluoroquinazolin-4-amine.
What is the SMILES notation for N-(1,2-dimethylbenzimidazol-5-yl)-6-fluoroquinazolin-4-amine?
The canonical SMILES for N-(1,2-dimethylbenzimidazol-5-yl)-6-fluoroquinazolin-4-amine is Cc1nc2cc(Nc3ncnc4ccc(F)cc34)ccc2n1C.
What is the InChIKey of N-(1,2-dimethylbenzimidazol-5-yl)-6-fluoroquinazolin-4-amine?
The InChIKey is YMPSQMAAUANJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5/c1-10-21-15-8-12(4-6-16(15)23(10)2)22-17-13-7-11(18)3-5-14(13)19-9-20-17/h3-9H,1-2H3,(H,19,20,22).
What are the key properties of N-(1,2-dimethylbenzimidazol-5-yl)-6-fluoroquinazolin-4-amine?
N-(1,2-dimethylbenzimidazol-5-yl)-6-fluoroquinazolin-4-amine has a molecular weight of 307.33 g/mol, XLogP of 3.71, 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-fluoroquinazolin-4-amine is sourced from PubChem (CID 133428185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).