N-[2-(1H-benzimidazol-2-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide

C23H26N4O — CID 110501775

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide
SMILESCCc1ccc2c(c1)c(C)c(C(=O)NCCc1nc3ccccc3[nH]1)n2CC
InChIInChI=1S/C23H26N4O/c1-4-16-10-11-20-17(14-16)15(3)22(27(20)5-2)23(28)24-13-12-21-25-18-8-6-7-9-19(18)26-21/h6-11,14H,4-5,12-13H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyVPKDEFVLECYYPU-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.38
Rot. Bonds6

About N-[2-(1H-benzimidazol-2-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide (PubChem CID 110501775) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide
PubChem CID110501775
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide
SMILESCCc1ccc2c(c1)c(C)c(C(=O)NCCc1nc3ccccc3[nH]1)n2CC
InChIInChI=1S/C23H26N4O/c1-4-16-10-11-20-17(14-16)15(3)22(27(20)5-2)23(28)24-13-12-21-25-18-8-6-7-9-19(18)26-21/h6-11,14H,4-5,12-13H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyVPKDEFVLECYYPU-UHFFFAOYSA-N
XLogP4.38
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[2-(1H-benzimidazol-2-yl)ethyl]-1,5-diethyl-3-methylindole-2-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-(cyclohexen-1-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide
CID 110497534
1,5-diethyl-N-(2-hydroxypropyl)-3-methylindole-2-carboxamide
CID 110497470
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 52693788
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564
ethyl 2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoacetate
CID 110461546
1,5-diethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]indole-2-carboxamide
CID 110501721
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47293402
2-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoic acid
CID 110501763
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751
1,5-diethyl-3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
CID 110497558
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897
4-(acetamidomethyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 17394585

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide (CID 110501775) is N-[2-(1H-benzimidazol-2-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide is CCc1ccc2c(c1)c(C)c(C(=O)NCCc1nc3ccccc3[nH]1)n2CC.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide?
The InChIKey is VPKDEFVLECYYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-4-16-10-11-20-17(14-16)15(3)22(27(20)5-2)23(28)24-13-12-21-25-18-8-6-7-9-19(18)26-21/h6-11,14H,4-5,12-13H2,1-3H3,(H,24,28)(H,25,26).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide is sourced from PubChem (CID 110501775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).