7-[2-(furan-2-yl)-5,6-dimethylbenzimidazol-1-yl]quinazoline-2,4-diamine

C21H18N6O — CID 67889361

IUPAC7-[2-(furan-2-yl)-5,6-dimethylbenzimidazol-1-yl]quinazoline-2,4-diamine
SMILESCc1cc2nc(-c3ccco3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C
InChIInChI=1S/C21H18N6O/c1-11-8-16-17(9-12(11)2)27(20(24-16)18-4-3-7-28-18)13-5-6-14-15(10-13)25-21(23)26-19(14)22/h3-10H,1-2H3,(H4,22,23,25,26)
InChIKeyQSAANSVYWZHQKA-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.01
Rot. Bonds2

About 7-[2-(furan-2-yl)-5,6-dimethylbenzimidazol-1-yl]quinazoline-2,4-diamine

7-[2-(furan-2-yl)-5,6-dimethylbenzimidazol-1-yl]quinazoline-2,4-diamine (PubChem CID 67889361) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 7-[2-(furan-2-yl)-5,6-dimethylbenzimidazol-1-yl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name7-[2-(furan-2-yl)-5,6-dimethylbenzimidazol-1-yl]quinazoline-2,4-diamine
PubChem CID67889361
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name7-[2-(furan-2-yl)-5,6-dimethylbenzimidazol-1-yl]quinazoline-2,4-diamine
SMILESCc1cc2nc(-c3ccco3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C
InChIInChI=1S/C21H18N6O/c1-11-8-16-17(9-12(11)2)27(20(24-16)18-4-3-7-28-18)13-5-6-14-15(10-13)25-21(23)26-19(14)22/h3-10H,1-2H3,(H4,22,23,25,26)
InChIKeyQSAANSVYWZHQKA-UHFFFAOYSA-N
XLogP4.01
TPSA108.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-Furan-2-yl-1-methyl-1H-naphtho[2,3-d]imidazole
CID 649492
Furodazole
CID 312914
7-[2-(Furan-3-yl)-5,6-dimethylbenzimidazol-1-yl]quinazoline-2,4-diamine
CID 76322025
2-Ethyl-1-[(2-furylmethyl)amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 556949
6-(5-Methylfuran-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline
CID 2997938
6-(Furan-2-yl)-6,12-dihydrobenzimidazolo[1,2-c]quinazoline
CID 2998157
1-(4-fluorophenyl)-2-(furan-2-yl)-1H-imidazo[4,5-b]quinoxaline
CID 2999175
17-(Furan-2-ylmethyl)-13-[(4-methoxyphenyl)methyl]-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
CID 659878
2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1H-imidazo[4,5-b]quinoxaline
CID 662008
N~4~-(furan-2-ylmethyl)-N~2~-(4-methylphenyl)quinazoline-2,4-diamine
CID 886392
2-amino-1-(2-fluorophenethyl)-N-(furan-2-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
CID 2009147
Furan-2-ylmethyl-methyl-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-amine
CID 9905079

Frequently Asked Questions

What is the IUPAC name of 7-[2-(furan-2-yl)-5,6-dimethylbenzimidazol-1-yl]quinazoline-2,4-diamine?
The IUPAC name of 7-[2-(furan-2-yl)-5,6-dimethylbenzimidazol-1-yl]quinazoline-2,4-diamine (CID 67889361) is 7-[2-(furan-2-yl)-5,6-dimethylbenzimidazol-1-yl]quinazoline-2,4-diamine.
What is the SMILES notation for 7-[2-(furan-2-yl)-5,6-dimethylbenzimidazol-1-yl]quinazoline-2,4-diamine?
The canonical SMILES for 7-[2-(furan-2-yl)-5,6-dimethylbenzimidazol-1-yl]quinazoline-2,4-diamine is Cc1cc2nc(-c3ccco3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C.
What is the InChIKey of 7-[2-(furan-2-yl)-5,6-dimethylbenzimidazol-1-yl]quinazoline-2,4-diamine?
The InChIKey is QSAANSVYWZHQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-11-8-16-17(9-12(11)2)27(20(24-16)18-4-3-7-28-18)13-5-6-14-15(10-13)25-21(23)26-19(14)22/h3-10H,1-2H3,(H4,22,23,25,26).
What are the key properties of 7-[2-(furan-2-yl)-5,6-dimethylbenzimidazol-1-yl]quinazoline-2,4-diamine?
7-[2-(furan-2-yl)-5,6-dimethylbenzimidazol-1-yl]quinazoline-2,4-diamine has a molecular weight of 370.42 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(furan-2-yl)-5,6-dimethylbenzimidazol-1-yl]quinazoline-2,4-diamine is sourced from PubChem (CID 67889361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).