10-butyl-8-chloro-7-methyl-5-phenyl-3,5-dihydro-2H-imidazo[2,1-b]quinazoline

C21H24ClN3 — CID 23336443

IUPAC10-butyl-8-chloro-7-methyl-5-phenyl-3,5-dihydro-2H-imidazo[2,1-b]quinazoline
SMILESCCCCN1C2=NCCN2C(c2ccccc2)c2cc(C)c(Cl)cc21
InChIInChI=1S/C21H24ClN3/c1-3-4-11-24-19-14-18(22)15(2)13-17(19)20(16-8-6-5-7-9-16)25-12-10-23-21(24)25/h5-9,13-14,20H,3-4,10-12H2,1-2H3
InChIKeyKGIPDMVZTYZHSH-UHFFFAOYSA-N
MW353.90 g/mol
LogP5.03
Rot. Bonds4

About 10-butyl-8-chloro-7-methyl-5-phenyl-3,5-dihydro-2H-imidazo[2,1-b]quinazoline

10-butyl-8-chloro-7-methyl-5-phenyl-3,5-dihydro-2H-imidazo[2,1-b]quinazoline (PubChem CID 23336443) has the molecular formula C21H24ClN3 and a molecular weight of 353.90 g/mol. Its IUPAC name is 10-butyl-8-chloro-7-methyl-5-phenyl-3,5-dihydro-2H-imidazo[2,1-b]quinazoline.

Molecular Properties

Compound Name10-butyl-8-chloro-7-methyl-5-phenyl-3,5-dihydro-2H-imidazo[2,1-b]quinazoline
PubChem CID23336443
Molecular FormulaC21H24ClN3
Molecular Weight353.90 g/mol
Exact Mass353.17
IUPAC Name10-butyl-8-chloro-7-methyl-5-phenyl-3,5-dihydro-2H-imidazo[2,1-b]quinazoline
SMILESCCCCN1C2=NCCN2C(c2ccccc2)c2cc(C)c(Cl)cc21
InChIInChI=1S/C21H24ClN3/c1-3-4-11-24-19-14-18(22)15(2)13-17(19)20(16-8-6-5-7-9-16)25-12-10-23-21(24)25/h5-9,13-14,20H,3-4,10-12H2,1-2H3
InChIKeyKGIPDMVZTYZHSH-UHFFFAOYSA-N
XLogP5.03
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.90
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-butyl-8-chloro-7-methyl-5-phenyl-3,5-dihydro-2H-imidazo[2,1-b]quinazoline?
The IUPAC name of 10-butyl-8-chloro-7-methyl-5-phenyl-3,5-dihydro-2H-imidazo[2,1-b]quinazoline (CID 23336443) is 10-butyl-8-chloro-7-methyl-5-phenyl-3,5-dihydro-2H-imidazo[2,1-b]quinazoline.
What is the SMILES notation for 10-butyl-8-chloro-7-methyl-5-phenyl-3,5-dihydro-2H-imidazo[2,1-b]quinazoline?
The canonical SMILES for 10-butyl-8-chloro-7-methyl-5-phenyl-3,5-dihydro-2H-imidazo[2,1-b]quinazoline is CCCCN1C2=NCCN2C(c2ccccc2)c2cc(C)c(Cl)cc21.
What is the InChIKey of 10-butyl-8-chloro-7-methyl-5-phenyl-3,5-dihydro-2H-imidazo[2,1-b]quinazoline?
The InChIKey is KGIPDMVZTYZHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3/c1-3-4-11-24-19-14-18(22)15(2)13-17(19)20(16-8-6-5-7-9-16)25-12-10-23-21(24)25/h5-9,13-14,20H,3-4,10-12H2,1-2H3.
What are the key properties of 10-butyl-8-chloro-7-methyl-5-phenyl-3,5-dihydro-2H-imidazo[2,1-b]quinazoline?
10-butyl-8-chloro-7-methyl-5-phenyl-3,5-dihydro-2H-imidazo[2,1-b]quinazoline has a molecular weight of 353.90 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butyl-8-chloro-7-methyl-5-phenyl-3,5-dihydro-2H-imidazo[2,1-b]quinazoline is sourced from PubChem (CID 23336443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).