1-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylurea

C23H21N5O — CID 46268832

IUPAC1-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc(N2CCn3c(nc4ccccc43)C2)c1
InChIInChI=1S/C23H21N5O/c29-23(24-17-7-2-1-3-8-17)25-18-9-6-10-19(15-18)27-13-14-28-21-12-5-4-11-20(21)26-22(28)16-27/h1-12,15H,13-14,16H2,(H2,24,25,29)
InChIKeyOWJMQNARMFGUFF-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.70
Rot. Bonds3

About 1-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylurea

1-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylurea (PubChem CID 46268832) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 1-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylurea
PubChem CID46268832
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name1-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc(N2CCn3c(nc4ccccc43)C2)c1
InChIInChI=1S/C23H21N5O/c29-23(24-17-7-2-1-3-8-17)25-18-9-6-10-19(15-18)27-13-14-28-21-12-5-4-11-20(21)26-22(28)16-27/h1-12,15H,13-14,16H2,(H2,24,25,29)
InChIKeyOWJMQNARMFGUFF-UHFFFAOYSA-N
XLogP4.70
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-methoxybenzamide
CID 46268824
2-methyl-N-[3-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]propanamide
CID 45491338
N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylpropanamide
CID 46268807
N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-phenoxyacetamide
CID 46268794
N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-methylbenzamide
CID 50749480
N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-3-phenylpropanamide
CID 50749431
N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]butanamide
CID 50749429
N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-4-methylbenzamide
CID 50749494
N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]butanamide
CID 46268849
N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-4-fluorobenzamide
CID 46268862
4-chloro-N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]benzamide
CID 50749276
N-[4-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 29133413

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylurea?
The IUPAC name of 1-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylurea (CID 46268832) is 1-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylurea?
The canonical SMILES for 1-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1cccc(N2CCn3c(nc4ccccc43)C2)c1.
What is the InChIKey of 1-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylurea?
The InChIKey is OWJMQNARMFGUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c29-23(24-17-7-2-1-3-8-17)25-18-9-6-10-19(15-18)27-13-14-28-21-12-5-4-11-20(21)26-22(28)16-27/h1-12,15H,13-14,16H2,(H2,24,25,29).
What are the key properties of 1-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylurea?
1-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylurea has a molecular weight of 383.46 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylurea is sourced from PubChem (CID 46268832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).