4-(1-methylimidazol-2-yl)sulfanyl-2-phenylquinazoline

C18H14N4S — CID 4785528

IUPAC4-(1-methylimidazol-2-yl)sulfanyl-2-phenylquinazoline
SMILESCn1ccnc1Sc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C18H14N4S/c1-22-12-11-19-18(22)23-17-14-9-5-6-10-15(14)20-16(21-17)13-7-3-2-4-8-13/h2-12H,1H3
InChIKeyNMXHMAQIVBKUJA-UHFFFAOYSA-N
MW318.41 g/mol
LogP4.18
Rot. Bonds3

About 4-(1-methylimidazol-2-yl)sulfanyl-2-phenylquinazoline

4-(1-methylimidazol-2-yl)sulfanyl-2-phenylquinazoline (PubChem CID 4785528) has the molecular formula C18H14N4S and a molecular weight of 318.41 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)sulfanyl-2-phenylquinazoline.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)sulfanyl-2-phenylquinazoline
PubChem CID4785528
Molecular FormulaC18H14N4S
Molecular Weight318.41 g/mol
Exact Mass318.09
IUPAC Name4-(1-methylimidazol-2-yl)sulfanyl-2-phenylquinazoline
SMILESCn1ccnc1Sc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C18H14N4S/c1-22-12-11-19-18(22)23-17-14-9-5-6-10-15(14)20-16(21-17)13-7-3-2-4-8-13/h2-12H,1H3
InChIKeyNMXHMAQIVBKUJA-UHFFFAOYSA-N
XLogP4.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)sulfanyl-2-phenylquinazoline?
The IUPAC name of 4-(1-methylimidazol-2-yl)sulfanyl-2-phenylquinazoline (CID 4785528) is 4-(1-methylimidazol-2-yl)sulfanyl-2-phenylquinazoline.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)sulfanyl-2-phenylquinazoline?
The canonical SMILES for 4-(1-methylimidazol-2-yl)sulfanyl-2-phenylquinazoline is Cn1ccnc1Sc1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 4-(1-methylimidazol-2-yl)sulfanyl-2-phenylquinazoline?
The InChIKey is NMXHMAQIVBKUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4S/c1-22-12-11-19-18(22)23-17-14-9-5-6-10-15(14)20-16(21-17)13-7-3-2-4-8-13/h2-12H,1H3.
What are the key properties of 4-(1-methylimidazol-2-yl)sulfanyl-2-phenylquinazoline?
4-(1-methylimidazol-2-yl)sulfanyl-2-phenylquinazoline has a molecular weight of 318.41 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)sulfanyl-2-phenylquinazoline is sourced from PubChem (CID 4785528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).