N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3H-benzimidazole-5-carboxamide

C19H18N4O2 — CID 110795482

IUPACN-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESCN1C(=O)Cc2cc(CCNC(=O)c3ccc4nc[nH]c4c3)ccc21
InChIInChI=1S/C19H18N4O2/c1-23-17-5-2-12(8-14(17)10-18(23)24)6-7-20-19(25)13-3-4-15-16(9-13)22-11-21-15/h2-5,8-9,11H,6-7,10H2,1H3,(H,20,25)(H,21,22)
InChIKeyLGXQBFZYFSXOPC-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.05
Rot. Bonds4

About N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3H-benzimidazole-5-carboxamide

N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 110795482) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3H-benzimidazole-5-carboxamide
PubChem CID110795482
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESCN1C(=O)Cc2cc(CCNC(=O)c3ccc4nc[nH]c4c3)ccc21
InChIInChI=1S/C19H18N4O2/c1-23-17-5-2-12(8-14(17)10-18(23)24)6-7-20-19(25)13-3-4-15-16(9-13)22-11-21-15/h2-5,8-9,11H,6-7,10H2,1H3,(H,20,25)(H,21,22)
InChIKeyLGXQBFZYFSXOPC-UHFFFAOYSA-N
XLogP2.05
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3H-benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 162475307
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]furan-2-carboxamide
CID 110788529
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl bromide
CID 115193913
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl chloride
CID 115194905
2-(1-methyl-2-oxo-3H-indol-5-yl)-N-(2-phenylethyl)acetamide
CID 110768281
2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]-2-oxoacetic acid
CID 115141454
N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110795256
N-[2-(4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 38503100
1-methyl-5-(3-oxobutyl)-3H-indol-2-one
CID 82471813
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 110788570
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 146025489

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3H-benzimidazole-5-carboxamide (CID 110795482) is N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3H-benzimidazole-5-carboxamide is CN1C(=O)Cc2cc(CCNC(=O)c3ccc4nc[nH]c4c3)ccc21.
What is the InChIKey of N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is LGXQBFZYFSXOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-23-17-5-2-12(8-14(17)10-18(23)24)6-7-20-19(25)13-3-4-15-16(9-13)22-11-21-15/h2-5,8-9,11H,6-7,10H2,1H3,(H,20,25)(H,21,22).
What are the key properties of N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3H-benzimidazole-5-carboxamide?
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110795482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).