3-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-1-carboxamide

C24H28N4O3 — CID 44576969

IUPAC3-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-1-carboxamide
SMILESO=C(N[C@@H]1CCCc2ccccc21)n1c(=O)n(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C24H28N4O3/c29-23(25-20-9-5-7-18-6-1-2-8-19(18)20)28-22-11-4-3-10-21(22)27(24(28)30)13-12-26-14-16-31-17-15-26/h1-4,6,8,10-11,20H,5,7,9,12-17H2,(H,25,29)/t20-/m1/s1
InChIKeyCFGJKAVEAIUNHS-HXUWFJFHSA-N
MW420.51 g/mol
LogP2.77
Rot. Bonds4

About 3-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-1-carboxamide

3-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-1-carboxamide (PubChem CID 44576969) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-1-carboxamide.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-1-carboxamide
PubChem CID44576969
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name3-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-1-carboxamide
SMILESO=C(N[C@@H]1CCCc2ccccc21)n1c(=O)n(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C24H28N4O3/c29-23(25-20-9-5-7-18-6-1-2-8-19(18)20)28-22-11-4-3-10-21(22)27(24(28)30)13-12-26-14-16-31-17-15-26/h1-4,6,8,10-11,20H,5,7,9,12-17H2,(H,25,29)/t20-/m1/s1
InChIKeyCFGJKAVEAIUNHS-HXUWFJFHSA-N
XLogP2.77
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-1-carboxamide?
The IUPAC name of 3-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-1-carboxamide (CID 44576969) is 3-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-1-carboxamide.
What is the SMILES notation for 3-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-1-carboxamide?
The canonical SMILES for 3-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-1-carboxamide is O=C(N[C@@H]1CCCc2ccccc21)n1c(=O)n(CCN2CCOCC2)c2ccccc21.
What is the InChIKey of 3-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-1-carboxamide?
The InChIKey is CFGJKAVEAIUNHS-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-23(25-20-9-5-7-18-6-1-2-8-19(18)20)28-22-11-4-3-10-21(22)27(24(28)30)13-12-26-14-16-31-17-15-26/h1-4,6,8,10-11,20H,5,7,9,12-17H2,(H,25,29)/t20-/m1/s1.
What are the key properties of 3-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-1-carboxamide?
3-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-1-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-1-carboxamide is sourced from PubChem (CID 44576969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).