N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C19H20N4O2 — CID 71944357

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)NC(C)c2nc3ccccc3[nH]2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C19H20N4O2/c1-10-16-14(8-5-9-15(16)24)21-17(10)19(25)20-11(2)18-22-12-6-3-4-7-13(12)23-18/h3-4,6-7,11,21H,5,8-9H2,1-2H3,(H,20,25)(H,22,23)
InChIKeyZRBARTDOAAWRKO-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.21
Rot. Bonds3

About N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 71944357) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID71944357
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)NC(C)c2nc3ccccc3[nH]2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C19H20N4O2/c1-10-16-14(8-5-9-15(16)24)21-17(10)19(25)20-11(2)18-22-12-6-3-4-7-13(12)23-18/h3-4,6-7,11,21H,5,8-9H2,1-2H3,(H,20,25)(H,22,23)
InChIKeyZRBARTDOAAWRKO-UHFFFAOYSA-N
XLogP3.21
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide with MolForge

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Related Compounds

3-methyl-4-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide
CID 55840479
(2R)-2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]-3-phenylpropanoic acid
CID 119367299
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[(1R)-1,2-diphenylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 32578013
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
3-methyl-N-(6-methyl-2-pyridinyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 35505129
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[(1S)-1-(1H-benzimidazol-2-yl)-4-(dimethylamino)butyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 171347198
4-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]carbamoyl]-1H-imidazole-5-carboxylic acid
CID 99945716
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylamino)-2-fluorobenzamide
CID 75387783
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 71944357) is N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1c(C(=O)NC(C)c2nc3ccccc3[nH]2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is ZRBARTDOAAWRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-10-16-14(8-5-9-15(16)24)21-17(10)19(25)20-11(2)18-22-12-6-3-4-7-13(12)23-18/h3-4,6-7,11,21H,5,8-9H2,1-2H3,(H,20,25)(H,22,23).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 71944357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).