(2S)-N-(3,5-dimethylphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide

C19H18N4O2 — CID 901265

IUPAC(2S)-N-(3,5-dimethylphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)[C@@H]2CC(=O)n3c(nc4ccccc43)N2)c1
InChIInChI=1S/C19H18N4O2/c1-11-7-12(2)9-13(8-11)20-18(25)15-10-17(24)23-16-6-4-3-5-14(16)21-19(23)22-15/h3-9,15H,10H2,1-2H3,(H,20,25)(H,21,22)/t15-/m0/s1
InChIKeyKFUMFPOBRRLPFU-HNNXBMFYSA-N
MW334.38 g/mol
LogP3.12
Rot. Bonds2

About (2S)-N-(3,5-dimethylphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide

(2S)-N-(3,5-dimethylphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide (PubChem CID 901265) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is (2S)-N-(3,5-dimethylphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3,5-dimethylphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide
PubChem CID901265
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name(2S)-N-(3,5-dimethylphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)[C@@H]2CC(=O)n3c(nc4ccccc43)N2)c1
InChIInChI=1S/C19H18N4O2/c1-11-7-12(2)9-13(8-11)20-18(25)15-10-17(24)23-16-6-4-3-5-14(16)21-19(23)22-15/h3-9,15H,10H2,1-2H3,(H,20,25)(H,21,22)/t15-/m0/s1
InChIKeyKFUMFPOBRRLPFU-HNNXBMFYSA-N
XLogP3.12
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,5-dimethylphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide?
The IUPAC name of (2S)-N-(3,5-dimethylphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide (CID 901265) is (2S)-N-(3,5-dimethylphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for (2S)-N-(3,5-dimethylphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for (2S)-N-(3,5-dimethylphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide is Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)n3c(nc4ccccc43)N2)c1.
What is the InChIKey of (2S)-N-(3,5-dimethylphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide?
The InChIKey is KFUMFPOBRRLPFU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-11-7-12(2)9-13(8-11)20-18(25)15-10-17(24)23-16-6-4-3-5-14(16)21-19(23)22-15/h3-9,15H,10H2,1-2H3,(H,20,25)(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-N-(3,5-dimethylphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide?
(2S)-N-(3,5-dimethylphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,5-dimethylphenyl)-4-oxo-2,3-dihydro-1H-pyrimido[1,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 901265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).