1-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-cyclohexylurea

C24H29N5O — CID 2956825

IUPAC1-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-cyclohexylurea
SMILESO=C(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)NC1CCCCC1
InChIInChI=1S/C24H29N5O/c30-24(25-19-9-5-2-6-10-19)26-20-11-12-22-21(15-20)27-23-17-28(13-14-29(22)23)16-18-7-3-1-4-8-18/h1,3-4,7-8,11-12,15,19H,2,5-6,9-10,13-14,16-17H2,(H2,25,26,30)
InChIKeyKBDOKTJKCAHONB-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.51
Rot. Bonds4

About 1-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-cyclohexylurea

1-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-cyclohexylurea (PubChem CID 2956825) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 1-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-cyclohexylurea
PubChem CID2956825
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name1-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-cyclohexylurea
SMILESO=C(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)NC1CCCCC1
InChIInChI=1S/C24H29N5O/c30-24(25-19-9-5-2-6-10-19)26-20-11-12-22-21(15-20)27-23-17-28(13-14-29(22)23)16-18-7-3-1-4-8-18/h1,3-4,7-8,11-12,15,19H,2,5-6,9-10,13-14,16-17H2,(H2,25,26,30)
InChIKeyKBDOKTJKCAHONB-UHFFFAOYSA-N
XLogP4.51
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-cyclohexylurea?
The IUPAC name of 1-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-cyclohexylurea (CID 2956825) is 1-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-cyclohexylurea.
What is the SMILES notation for 1-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-cyclohexylurea?
The canonical SMILES for 1-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-cyclohexylurea is O=C(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)NC1CCCCC1.
What is the InChIKey of 1-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-cyclohexylurea?
The InChIKey is KBDOKTJKCAHONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c30-24(25-19-9-5-2-6-10-19)26-20-11-12-22-21(15-20)27-23-17-28(13-14-29(22)23)16-18-7-3-1-4-8-18/h1,3-4,7-8,11-12,15,19H,2,5-6,9-10,13-14,16-17H2,(H2,25,26,30).
What are the key properties of 1-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-cyclohexylurea?
1-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-cyclohexylurea has a molecular weight of 403.53 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-cyclohexylurea is sourced from PubChem (CID 2956825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).