N-(2-methoxyphenyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide

C23H20N4O2S — CID 12005438

IUPACN-(2-methoxyphenyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cccs1
InChIInChI=1S/C23H20N4O2S/c1-14-20(22(28)25-16-9-4-6-11-18(16)29-2)21(19-12-7-13-30-19)27-17-10-5-3-8-15(17)26-23(27)24-14/h3-13,21H,1-2H3,(H,24,26)(H,25,28)
InChIKeyLZVRPOCSBGOHFA-UHFFFAOYSA-N
MW416.51 g/mol
LogP5.03
Rot. Bonds4

About N-(2-methoxyphenyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide

N-(2-methoxyphenyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide (PubChem CID 12005438) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
PubChem CID12005438
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC NameN-(2-methoxyphenyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cccs1
InChIInChI=1S/C23H20N4O2S/c1-14-20(22(28)25-16-9-4-6-11-18(16)29-2)21(19-12-7-13-30-19)27-17-10-5-3-8-15(17)26-23(27)24-14/h3-13,21H,1-2H3,(H,24,26)(H,25,28)
InChIKeyLZVRPOCSBGOHFA-UHFFFAOYSA-N
XLogP5.03
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.51
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-methoxyphenyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide with MolForge

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Related Compounds

N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-phenoxythiophene-2-carboxamide
CID 25190525
2-Aminobenzimidazole with trans-stilbene, 8h
CID 25190552
2-Aminobenzimidazole with trans-stilbene, 8i
CID 25190553
2-Aminobenzimidazole with trans-stilbene, 8j
CID 25190554
1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine
CID 949169
N-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
CID 15988601
N-{1-[2-(2-Methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-YL}thiophene-2-carboxamide
CID 1169319
N-{1-[2-(4-methoxyphenoxy)ethyl]-1H-benzimidazol-2-yl}thiophene-2-carboxamide
CID 1169322
4-(4-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
CID 15999310
4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
CID 15999903
N-[5-(1H-1,3-Benzodiazol-2-YL)-2-methoxyphenyl]thiophene-2-carboxamide
CID 17093090
N-cyclopentyl-2-(4-methoxyphenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide
CID 53383179

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide (CID 12005438) is N-(2-methoxyphenyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide is COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cccs1.
What is the InChIKey of N-(2-methoxyphenyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide?
The InChIKey is LZVRPOCSBGOHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-14-20(22(28)25-16-9-4-6-11-18(16)29-2)21(19-12-7-13-30-19)27-17-10-5-3-8-15(17)26-23(27)24-14/h3-13,21H,1-2H3,(H,24,26)(H,25,28).
What are the key properties of N-(2-methoxyphenyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide?
N-(2-methoxyphenyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 416.51 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 12005438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).