1'-[(5-methyl-1H-imidazol-4-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]

C19H24N6 — CID 95794073

IUPAC1'-[(5-methyl-1H-imidazol-4-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]
SMILESCc1[nH]cnc1CN1CCC2(CC1)Nc1ccccc1C1=NCCN12
InChIInChI=1S/C19H24N6/c1-14-17(22-13-21-14)12-24-9-6-19(7-10-24)23-16-5-3-2-4-15(16)18-20-8-11-25(18)19/h2-5,13,23H,6-12H2,1H3,(H,21,22)
InChIKeyZKWURXBXRXZAMM-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.20
Rot. Bonds2

About 1'-[(5-methyl-1H-imidazol-4-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]

1'-[(5-methyl-1H-imidazol-4-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine] (PubChem CID 95794073) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1'-[(5-methyl-1H-imidazol-4-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine].

Molecular Properties

Compound Name1'-[(5-methyl-1H-imidazol-4-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]
PubChem CID95794073
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name1'-[(5-methyl-1H-imidazol-4-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]
SMILESCc1[nH]cnc1CN1CCC2(CC1)Nc1ccccc1C1=NCCN12
InChIInChI=1S/C19H24N6/c1-14-17(22-13-21-14)12-24-9-6-19(7-10-24)23-16-5-3-2-4-15(16)18-20-8-11-25(18)19/h2-5,13,23H,6-12H2,1H3,(H,21,22)
InChIKeyZKWURXBXRXZAMM-UHFFFAOYSA-N
XLogP2.20
TPSA59.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[(5-methyl-1H-imidazol-4-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]?
The IUPAC name of 1'-[(5-methyl-1H-imidazol-4-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine] (CID 95794073) is 1'-[(5-methyl-1H-imidazol-4-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine].
What is the SMILES notation for 1'-[(5-methyl-1H-imidazol-4-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]?
The canonical SMILES for 1'-[(5-methyl-1H-imidazol-4-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine] is Cc1[nH]cnc1CN1CCC2(CC1)Nc1ccccc1C1=NCCN12.
What is the InChIKey of 1'-[(5-methyl-1H-imidazol-4-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]?
The InChIKey is ZKWURXBXRXZAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-14-17(22-13-21-14)12-24-9-6-19(7-10-24)23-16-5-3-2-4-15(16)18-20-8-11-25(18)19/h2-5,13,23H,6-12H2,1H3,(H,21,22).
What are the key properties of 1'-[(5-methyl-1H-imidazol-4-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]?
1'-[(5-methyl-1H-imidazol-4-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine] has a molecular weight of 336.44 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(5-methyl-1H-imidazol-4-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine] is sourced from PubChem (CID 95794073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).