(3-methylthiophen-2-yl)-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)methanone

C18H17N3OS — CID 53183315

IUPAC(3-methylthiophen-2-yl)-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)methanone
SMILESCc1ccsc1C(=O)N1CCCn2cc(-c3ccccc3)nc21
InChIInChI=1S/C18H17N3OS/c1-13-8-11-23-16(13)17(22)21-10-5-9-20-12-15(19-18(20)21)14-6-3-2-4-7-14/h2-4,6-8,11-12H,5,9-10H2,1H3
InChIKeyITADEDLAMHSZRL-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.97
Rot. Bonds2

About (3-methylthiophen-2-yl)-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)methanone

(3-methylthiophen-2-yl)-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)methanone (PubChem CID 53183315) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)methanone.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)methanone
PubChem CID53183315
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name(3-methylthiophen-2-yl)-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)methanone
SMILESCc1ccsc1C(=O)N1CCCn2cc(-c3ccccc3)nc21
InChIInChI=1S/C18H17N3OS/c1-13-8-11-23-16(13)17(22)21-10-5-9-20-12-15(19-18(20)21)14-6-3-2-4-7-14/h2-4,6-8,11-12H,5,9-10H2,1H3
InChIKeyITADEDLAMHSZRL-UHFFFAOYSA-N
XLogP3.97
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)methanone?
The IUPAC name of (3-methylthiophen-2-yl)-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)methanone (CID 53183315) is (3-methylthiophen-2-yl)-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)methanone.
What is the SMILES notation for (3-methylthiophen-2-yl)-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)methanone?
The canonical SMILES for (3-methylthiophen-2-yl)-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)methanone is Cc1ccsc1C(=O)N1CCCn2cc(-c3ccccc3)nc21.
What is the InChIKey of (3-methylthiophen-2-yl)-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)methanone?
The InChIKey is ITADEDLAMHSZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-13-8-11-23-16(13)17(22)21-10-5-9-20-12-15(19-18(20)21)14-6-3-2-4-7-14/h2-4,6-8,11-12H,5,9-10H2,1H3.
What are the key properties of (3-methylthiophen-2-yl)-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)methanone?
(3-methylthiophen-2-yl)-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)methanone has a molecular weight of 323.42 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-(2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)methanone is sourced from PubChem (CID 53183315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).