(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-Trifluoro-1-{5-[(3-phenyl-5,6-dihydroimidazo[1,2-A]pyrazin-7(8H)-YL)carbonyl]thiophen-2-YL}ethane-1,1-diol
CID 24836810
4-chloro-N-(2-(2-thienyl)imidazo(1,2-a)pyridin-3-yl)benzamide
CID 979718
N-hydroxy-5-((3-phenyl-5,6-dihydroimidazo(1,2-a)pyrazin-7(8H)-yl)carbonyl)thiophene-2-carboxamide
CID 24836811
N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)thiophene-2-carboxamide
CID 7080336
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-2-yl)thiophene-2-carboxamide
CID 11237786
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-4-yl)thiophene-2-carboxamide
CID 11489351
2,2,2-trifluoro-1-[5-({3-phenyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazin-7-yl}carbonyl)thiophen-2-yl]ethan-1-one
CID 25023802
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-3-yl)thiophene-2-carboxamide
CID 25190527
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyrazin-2-yl)thiophene-2-carboxamide
CID 25190535
N-Cyclopropyl-4-{8-[(Thiophen-2-Ylmethyl)amino]imidazo[1,2-A]pyrazin-3-Yl}benzamide
CID 57382314
5-(2-aminopyrimidin-4-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 134277796
N-[7-methyl-2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 843190

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).