2-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]-6-fluoro-4-methylquinazoline

C26H29FN6 — CID 45192143

IUPAC2-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]-6-fluoro-4-methylquinazoline
SMILESCc1nc(N2CCC(N3CCCC(c4nc5ccccc5[nH]4)C3)CC2)nc2ccc(F)cc12
InChIInChI=1S/C26H29FN6/c1-17-21-15-19(27)8-9-22(21)31-26(28-17)32-13-10-20(11-14-32)33-12-4-5-18(16-33)25-29-23-6-2-3-7-24(23)30-25/h2-3,6-9,15,18,20H,4-5,10-14,16H2,1H3,(H,29,30)
InChIKeySJVDIFANBWCDNN-UHFFFAOYSA-N
MW444.56 g/mol
LogP4.80
Rot. Bonds3

About 2-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]-6-fluoro-4-methylquinazoline

2-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]-6-fluoro-4-methylquinazoline (PubChem CID 45192143) has the molecular formula C26H29FN6 and a molecular weight of 444.56 g/mol. Its IUPAC name is 2-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]-6-fluoro-4-methylquinazoline.

Molecular Properties

Compound Name2-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]-6-fluoro-4-methylquinazoline
PubChem CID45192143
Molecular FormulaC26H29FN6
Molecular Weight444.56 g/mol
Exact Mass444.24
IUPAC Name2-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]-6-fluoro-4-methylquinazoline
SMILESCc1nc(N2CCC(N3CCCC(c4nc5ccccc5[nH]4)C3)CC2)nc2ccc(F)cc12
InChIInChI=1S/C26H29FN6/c1-17-21-15-19(27)8-9-22(21)31-26(28-17)32-13-10-20(11-14-32)33-12-4-5-18(16-33)25-29-23-6-2-3-7-24(23)30-25/h2-3,6-9,15,18,20H,4-5,10-14,16H2,1H3,(H,29,30)
InChIKeySJVDIFANBWCDNN-UHFFFAOYSA-N
XLogP4.80
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]-6-fluoro-4-methylquinazoline with MolForge

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Related Compounds

6-fluoro-4-methyl-2-piperidin-1-ylquinazoline
CID 139333383
[(3S)-1-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 42162830
4-methyl-2-(4-piperidin-1-ylazepan-1-yl)quinazoline
CID 142905223
5-[4-[3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169148805
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methanone
CID 55639183
2-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 131927341
1-(6-fluoro-4-methylquinazolin-2-yl)-N-(oxan-4-yl)azepan-4-amine
CID 45222958
(4R)-1-(6-fluoro-4-methylquinazolin-2-yl)-N-(2,2,2-trifluoroethyl)azepan-4-amine
CID 125165033
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 25352744
[4-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 42248070
4-[4-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]benzonitrile
CID 169148872
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone
CID 95868077

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]-6-fluoro-4-methylquinazoline?
The IUPAC name of 2-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]-6-fluoro-4-methylquinazoline (CID 45192143) is 2-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]-6-fluoro-4-methylquinazoline.
What is the SMILES notation for 2-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]-6-fluoro-4-methylquinazoline?
The canonical SMILES for 2-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]-6-fluoro-4-methylquinazoline is Cc1nc(N2CCC(N3CCCC(c4nc5ccccc5[nH]4)C3)CC2)nc2ccc(F)cc12.
What is the InChIKey of 2-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]-6-fluoro-4-methylquinazoline?
The InChIKey is SJVDIFANBWCDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6/c1-17-21-15-19(27)8-9-22(21)31-26(28-17)32-13-10-20(11-14-32)33-12-4-5-18(16-33)25-29-23-6-2-3-7-24(23)30-25/h2-3,6-9,15,18,20H,4-5,10-14,16H2,1H3,(H,29,30).
What are the key properties of 2-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]-6-fluoro-4-methylquinazoline?
2-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]-6-fluoro-4-methylquinazoline has a molecular weight of 444.56 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]-6-fluoro-4-methylquinazoline is sourced from PubChem (CID 45192143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).