N-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)acetamide

C21H20N4O2 — CID 139675750

IUPACN-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)acetamide
SMILESO=C(CC1=C(O)CCn2c1nc1ccccc12)Nc1ccc2c(c1)CCN2
InChIInChI=1S/C21H20N4O2/c26-19-8-10-25-18-4-2-1-3-17(18)24-21(25)15(19)12-20(27)23-14-5-6-16-13(11-14)7-9-22-16/h1-6,11,22,26H,7-10,12H2,(H,23,27)
InChIKeyGYNRDELUUGIIHM-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.71
Rot. Bonds3

About N-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)acetamide

N-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)acetamide (PubChem CID 139675750) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)acetamide
PubChem CID139675750
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)acetamide
SMILESO=C(CC1=C(O)CCn2c1nc1ccccc12)Nc1ccc2c(c1)CCN2
InChIInChI=1S/C21H20N4O2/c26-19-8-10-25-18-4-2-1-3-17(18)24-21(25)15(19)12-20(27)23-14-5-6-16-13(11-14)7-9-22-16/h1-6,11,22,26H,7-10,12H2,(H,23,27)
InChIKeyGYNRDELUUGIIHM-UHFFFAOYSA-N
XLogP3.71
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 139675679
N-(2,3-dihydro-1H-indol-5-yl)-2-phenylacetamide
CID 63252775
N-(2,3-dihydro-1H-indol-5-yl)-2-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119473855
2-acetamido-N-(2,3-dihydro-1H-indol-5-yl)acetamide
CID 63253037
N-(2,3-dihydro-1H-indol-5-yl)butanamide
CID 63253204
N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-2-phenylpropanamide
CID 63253292
N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylacetamide;hydrochloride
CID 119473829
N-(2,3-dihydro-1H-indol-5-yl)-3-methylsulfanylpropanamide;hydrochloride
CID 119473853
N-(2,3-dihydro-1H-indol-5-yl)-3,4,4-trimethylpentanamide
CID 63834008
2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide
CID 63282524
2-(cyclopropylmethylamino)-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide
CID 122080484
N-(2,3-dihydro-1H-indol-5-yl)-3,4,4-trimethylpentanamide;hydrochloride
CID 119473758

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)acetamide (CID 139675750) is N-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)acetamide is O=C(CC1=C(O)CCn2c1nc1ccccc12)Nc1ccc2c(c1)CCN2.
What is the InChIKey of N-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)acetamide?
The InChIKey is GYNRDELUUGIIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c26-19-8-10-25-18-4-2-1-3-17(18)24-21(25)15(19)12-20(27)23-14-5-6-16-13(11-14)7-9-22-16/h1-6,11,22,26H,7-10,12H2,(H,23,27).
What are the key properties of N-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)acetamide?
N-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)acetamide has a molecular weight of 360.42 g/mol, XLogP of 3.71, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)acetamide is sourced from PubChem (CID 139675750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).