1-[(4-methoxyphenyl)methylamino]pyrazino[1,2-a]benzimidazole-3-carbaldehyde

C19H16N4O2 — CID 175668152

IUPAC1-[(4-methoxyphenyl)methylamino]pyrazino[1,2-a]benzimidazole-3-carbaldehyde
SMILESCOc1ccc(CNc2nc(C=O)cn3c2nc2ccccc23)cc1
InChIInChI=1S/C19H16N4O2/c1-25-15-8-6-13(7-9-15)10-20-18-19-22-16-4-2-3-5-17(16)23(19)11-14(12-24)21-18/h2-9,11-12H,10H2,1H3,(H,20,21)
InChIKeyUCGPWBARCFWUEH-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.32
Rot. Bonds5

About 1-[(4-methoxyphenyl)methylamino]pyrazino[1,2-a]benzimidazole-3-carbaldehyde

1-[(4-methoxyphenyl)methylamino]pyrazino[1,2-a]benzimidazole-3-carbaldehyde (PubChem CID 175668152) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methylamino]pyrazino[1,2-a]benzimidazole-3-carbaldehyde.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methylamino]pyrazino[1,2-a]benzimidazole-3-carbaldehyde
PubChem CID175668152
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name1-[(4-methoxyphenyl)methylamino]pyrazino[1,2-a]benzimidazole-3-carbaldehyde
SMILESCOc1ccc(CNc2nc(C=O)cn3c2nc2ccccc23)cc1
InChIInChI=1S/C19H16N4O2/c1-25-15-8-6-13(7-9-15)10-20-18-19-22-16-4-2-3-5-17(16)23(19)11-14(12-24)21-18/h2-9,11-12H,10H2,1H3,(H,20,21)
InChIKeyUCGPWBARCFWUEH-UHFFFAOYSA-N
XLogP3.32
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Imidazo[1,2-c]pyrimidine-8-carboxamide, 10j
CID 10253089
N-propan-2-yl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline
CID 134179300
N-[2-(4-methoxyphenyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 675270
5-[(4-Methoxyphenyl)methyl]-2-phenyl-imidazo[4,5-c]pyridine
CID 10380992
2-(furan-2-yl)-8-methyl-N-(2-methylphenyl)imidazo(1,2-a)pyridin-3-amine
CID 4179181
Aminoimidazo[1,2-a]pyridine deriv. 16
CID 5330616
1-(4-Methoxy-benzyl)-2-piperazin-1-yl-1H-benzoimidazole
CID 10336265
N-[2-(2-ethylanilino)-2-oxoethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 16318785
(4-Methoxy-benzyl)-[1-(2-morpholin-4-yl-ethyl)-1H-benzoimidazol-2-yl]-amine
CID 1090114
N-(4-methoxybenzyl)-1-[2-(1-piperidinyl)ethyl]-1H-benzimidazol-2-amine
CID 1291000
2-Methyl-imidazo[1,2-a]pyridine-3-carboxylic acid 4-methoxy-benzylamide
CID 1073190
5-(2-Amino-2-methylpropylamino)-7-(3,5-dimethoxyphenylamino)-2-phenylimidazo[1,2-c]pyrimidine-8-carboxamide
CID 10457649

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methylamino]pyrazino[1,2-a]benzimidazole-3-carbaldehyde?
The IUPAC name of 1-[(4-methoxyphenyl)methylamino]pyrazino[1,2-a]benzimidazole-3-carbaldehyde (CID 175668152) is 1-[(4-methoxyphenyl)methylamino]pyrazino[1,2-a]benzimidazole-3-carbaldehyde.
What is the SMILES notation for 1-[(4-methoxyphenyl)methylamino]pyrazino[1,2-a]benzimidazole-3-carbaldehyde?
The canonical SMILES for 1-[(4-methoxyphenyl)methylamino]pyrazino[1,2-a]benzimidazole-3-carbaldehyde is COc1ccc(CNc2nc(C=O)cn3c2nc2ccccc23)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methylamino]pyrazino[1,2-a]benzimidazole-3-carbaldehyde?
The InChIKey is UCGPWBARCFWUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-25-15-8-6-13(7-9-15)10-20-18-19-22-16-4-2-3-5-17(16)23(19)11-14(12-24)21-18/h2-9,11-12H,10H2,1H3,(H,20,21).
What are the key properties of 1-[(4-methoxyphenyl)methylamino]pyrazino[1,2-a]benzimidazole-3-carbaldehyde?
1-[(4-methoxyphenyl)methylamino]pyrazino[1,2-a]benzimidazole-3-carbaldehyde has a molecular weight of 332.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methylamino]pyrazino[1,2-a]benzimidazole-3-carbaldehyde is sourced from PubChem (CID 175668152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).