1-[2-(diethylamino)ethyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxo-3H-benzimidazole-5-carboxamide

C23H28N4O2 — CID 7451494

IUPAC1-[2-(diethylamino)ethyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCCN(CC)CCn1c(=O)[nH]c2cc(C(=O)N[C@@H]3CCc4ccccc43)ccc21
InChIInChI=1S/C23H28N4O2/c1-3-26(4-2)13-14-27-21-12-10-17(15-20(21)25-23(27)29)22(28)24-19-11-9-16-7-5-6-8-18(16)19/h5-8,10,12,15,19H,3-4,9,11,13-14H2,1-2H3,(H,24,28)(H,25,29)/t19-/m1/s1
InChIKeyPZAMRAGOVQZIPB-LJQANCHMSA-N
MW392.50 g/mol
LogP3.09
Rot. Bonds7

About 1-[2-(diethylamino)ethyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxo-3H-benzimidazole-5-carboxamide

1-[2-(diethylamino)ethyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 7451494) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID7451494
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-[2-(diethylamino)ethyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCCN(CC)CCn1c(=O)[nH]c2cc(C(=O)N[C@@H]3CCc4ccccc43)ccc21
InChIInChI=1S/C23H28N4O2/c1-3-26(4-2)13-14-27-21-12-10-17(15-20(21)25-23(27)29)22(28)24-19-11-9-16-7-5-6-8-18(16)19/h5-8,10,12,15,19H,3-4,9,11,13-14H2,1-2H3,(H,24,28)(H,25,29)/t19-/m1/s1
InChIKeyPZAMRAGOVQZIPB-LJQANCHMSA-N
XLogP3.09
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-(2,3-dihydro-1H-inden-1-yl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232129
1-ethyl-2,3-dioxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-quinoxaline-6-carboxamide
CID 2649526
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 170948220
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 41367995
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 94159469
N-(2,3-dihydro-1H-inden-1-yl)-3-(dimethylamino)benzamide
CID 51281191
3-(diethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42964993
2-amino-8-N-(2,3-dihydro-1H-inden-1-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;ethane
CID 142430778
N-(2,3-dihydro-1H-inden-1-yl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51299494
1-[2-(dimethylcarbamoylamino)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 83114218
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-indole-6-carboxamide
CID 39705283
3-[2-(diethylamino)ethyl]-N-[(1S,2R)-2-methylcyclohexyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 92694759

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-[2-(diethylamino)ethyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxo-3H-benzimidazole-5-carboxamide (CID 7451494) is 1-[2-(diethylamino)ethyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxo-3H-benzimidazole-5-carboxamide is CCN(CC)CCn1c(=O)[nH]c2cc(C(=O)N[C@@H]3CCc4ccccc43)ccc21.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is PZAMRAGOVQZIPB-LJQANCHMSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-3-26(4-2)13-14-27-21-12-10-17(15-20(21)25-23(27)29)22(28)24-19-11-9-16-7-5-6-8-18(16)19/h5-8,10,12,15,19H,3-4,9,11,13-14H2,1-2H3,(H,24,28)(H,25,29)/t19-/m1/s1.
What are the key properties of 1-[2-(diethylamino)ethyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxo-3H-benzimidazole-5-carboxamide?
1-[2-(diethylamino)ethyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 7451494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).