N-methyl-6-[2-methyl-5-[[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]amino]phenyl]quinazolin-2-amine

C28H30N8 — CID 58829269

IUPACN-methyl-6-[2-methyl-5-[[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]amino]phenyl]quinazolin-2-amine
SMILESCNc1ncc2cc(-c3cc(Nc4nc5ccc(N6CCN(C)CC6)cc5[nH]4)ccc3C)ccc2n1
InChIInChI=1S/C28H30N8/c1-18-4-6-21(15-23(18)19-5-8-24-20(14-19)17-30-27(29-2)32-24)31-28-33-25-9-7-22(16-26(25)34-28)36-12-10-35(3)11-13-36/h4-9,14-17H,10-13H2,1-3H3,(H,29,30,32)(H2,31,33,34)
InChIKeyQOBBQCUWZBLIFP-UHFFFAOYSA-N
MW478.60 g/mol
LogP5.02
Rot. Bonds5

About N-methyl-6-[2-methyl-5-[[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]amino]phenyl]quinazolin-2-amine

N-methyl-6-[2-methyl-5-[[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]amino]phenyl]quinazolin-2-amine (PubChem CID 58829269) has the molecular formula C28H30N8 and a molecular weight of 478.60 g/mol. Its IUPAC name is N-methyl-6-[2-methyl-5-[[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]amino]phenyl]quinazolin-2-amine.

Molecular Properties

Compound NameN-methyl-6-[2-methyl-5-[[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]amino]phenyl]quinazolin-2-amine
PubChem CID58829269
Molecular FormulaC28H30N8
Molecular Weight478.60 g/mol
Exact Mass478.26
IUPAC NameN-methyl-6-[2-methyl-5-[[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]amino]phenyl]quinazolin-2-amine
SMILESCNc1ncc2cc(-c3cc(Nc4nc5ccc(N6CCN(C)CC6)cc5[nH]4)ccc3C)ccc2n1
InChIInChI=1S/C28H30N8/c1-18-4-6-21(15-23(18)19-5-8-24-20(14-19)17-30-27(29-2)32-24)31-28-33-25-9-7-22(16-26(25)34-28)36-12-10-35(3)11-13-36/h4-9,14-17H,10-13H2,1-3H3,(H,29,30,32)(H2,31,33,34)
InChIKeyQOBBQCUWZBLIFP-UHFFFAOYSA-N
XLogP5.02
TPSA85.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-benzylimidazol-2-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-amine
CID 141181194
6-methyl-N-(4-morpholin-4-ylphenyl)-1H-benzimidazol-2-amine
CID 110376992
N-(4-methylpiperazin-1-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]quinazolin-2-amine
CID 140543119
6-(4-methylpiperazin-1-yl)-1H-benzimidazole-2-sulfonic acid
CID 87680464
3-[5-[(5,6-difluoro-1H-benzimidazol-2-yl)amino]-2-methylphenyl]-1-methyl-7-(methylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 163652331
4-methyl-3-[2-[4-(4-methylpiperazin-1-yl)anilino]-[1,3]thiazolo[5,4-b]pyridin-6-yl]benzaldehyde
CID 87280143
N-(3-chloro-4-methylphenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
CID 82563255
N-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methylquinazolin-2-amine
CID 70889870
2-fluoro-N-[4-methyl-3-[2-(methylamino)quinazolin-6-yl]phenyl]-5-(trifluoromethyl)benzamide
CID 58829062
9-methyl-3,6-bis[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]carbazole
CID 102218320
4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline
CID 163663064
3-[2-(4-fluoroanilino)quinazolin-6-yl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 176903602

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[2-methyl-5-[[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]amino]phenyl]quinazolin-2-amine?
The IUPAC name of N-methyl-6-[2-methyl-5-[[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]amino]phenyl]quinazolin-2-amine (CID 58829269) is N-methyl-6-[2-methyl-5-[[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]amino]phenyl]quinazolin-2-amine.
What is the SMILES notation for N-methyl-6-[2-methyl-5-[[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]amino]phenyl]quinazolin-2-amine?
The canonical SMILES for N-methyl-6-[2-methyl-5-[[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]amino]phenyl]quinazolin-2-amine is CNc1ncc2cc(-c3cc(Nc4nc5ccc(N6CCN(C)CC6)cc5[nH]4)ccc3C)ccc2n1.
What is the InChIKey of N-methyl-6-[2-methyl-5-[[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]amino]phenyl]quinazolin-2-amine?
The InChIKey is QOBBQCUWZBLIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8/c1-18-4-6-21(15-23(18)19-5-8-24-20(14-19)17-30-27(29-2)32-24)31-28-33-25-9-7-22(16-26(25)34-28)36-12-10-35(3)11-13-36/h4-9,14-17H,10-13H2,1-3H3,(H,29,30,32)(H2,31,33,34).
What are the key properties of N-methyl-6-[2-methyl-5-[[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]amino]phenyl]quinazolin-2-amine?
N-methyl-6-[2-methyl-5-[[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]amino]phenyl]quinazolin-2-amine has a molecular weight of 478.60 g/mol, XLogP of 5.02, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[2-methyl-5-[[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]amino]phenyl]quinazolin-2-amine is sourced from PubChem (CID 58829269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).