1-cyclohexyl-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]urea

C20H29N5O2 — CID 666706

IUPAC1-cyclohexyl-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]urea
SMILESCOCCN1CCn2c(nc3cc(NC(=O)NC4CCCCC4)ccc32)C1
InChIInChI=1S/C20H29N5O2/c1-27-12-11-24-9-10-25-18-8-7-16(13-17(18)23-19(25)14-24)22-20(26)21-15-5-3-2-4-6-15/h7-8,13,15H,2-6,9-12,14H2,1H3,(H2,21,22,26)
InChIKeyVHPNPYTYAUDYFA-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.95
Rot. Bonds5

About 1-cyclohexyl-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]urea

1-cyclohexyl-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]urea (PubChem CID 666706) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]urea
PubChem CID666706
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name1-cyclohexyl-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]urea
SMILESCOCCN1CCn2c(nc3cc(NC(=O)NC4CCCCC4)ccc32)C1
InChIInChI=1S/C20H29N5O2/c1-27-12-11-24-9-10-25-18-8-7-16(13-17(18)23-19(25)14-24)22-20(26)21-15-5-3-2-4-6-15/h7-8,13,15H,2-6,9-12,14H2,1H3,(H2,21,22,26)
InChIKeyVHPNPYTYAUDYFA-UHFFFAOYSA-N
XLogP2.95
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]urea 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-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol
CID 11270500
N-(2-methyl-1-phenylbenzimidazol-5-yl)acetamide
CID 739312
5-[1-(1,3-Dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one
CID 122512239
2-[(1-Methyl-1h-Benzimidazol-2-Yl)methyl]-6-Morpholin-4-Ylpyrimidin-4(3h)-One
CID 135566644
2-(Difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-amine
CID 22036837
1-ethyl-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]benzimidazole-2-carboxamide
CID 58355241
1-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S)-piperidin-3-yl]benzimidazole-2-carboxamide
CID 58355440
1-methyl-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]benzimidazole-2-carboxamide
CID 58355480
N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-(dimethylamino)acetamide
CID 68041083
1-[4-[(1-Methyl-5-nitrobenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 938744
1-{4-[(1-methyl-5-nitro-1H-benzimidazol-2-yl)methyl]piperazin-1-yl}butan-1-one
CID 4886315
N-(1-phenyl-1H-benzimidazol-5-yl)propanamide
CID 948973

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]urea (CID 666706) is 1-cyclohexyl-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]urea is COCCN1CCn2c(nc3cc(NC(=O)NC4CCCCC4)ccc32)C1.
What is the InChIKey of 1-cyclohexyl-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]urea?
The InChIKey is VHPNPYTYAUDYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-27-12-11-24-9-10-25-18-8-7-16(13-17(18)23-19(25)14-24)22-20(26)21-15-5-3-2-4-6-15/h7-8,13,15H,2-6,9-12,14H2,1H3,(H2,21,22,26).
What are the key properties of 1-cyclohexyl-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]urea?
1-cyclohexyl-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]urea has a molecular weight of 371.49 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]urea is sourced from PubChem (CID 666706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).