N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide

C20H26N4O — CID 71887640

IUPACN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NC(Cn3ccnc3)C(C)(C)C)cc2c1C
InChIInChI=1S/C20H26N4O/c1-13-14(2)22-17-7-6-15(10-16(13)17)19(25)23-18(20(3,4)5)11-24-9-8-21-12-24/h6-10,12,18,22H,11H2,1-5H3,(H,23,25)
InChIKeyRQFRYKRMUYZBQD-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.83
Rot. Bonds4

About N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide

N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 71887640) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID71887640
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NC(Cn3ccnc3)C(C)(C)C)cc2c1C
InChIInChI=1S/C20H26N4O/c1-13-14(2)22-17-7-6-15(10-16(13)17)19(25)23-18(20(3,4)5)11-24-9-8-21-12-24/h6-10,12,18,22H,11H2,1-5H3,(H,23,25)
InChIKeyRQFRYKRMUYZBQD-UHFFFAOYSA-N
XLogP3.83
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2,3-dimethyl-1H-indole-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-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 77083723
3-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 75373604
4-chloro-3-fluoro-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)benzamide
CID 131909336
N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-4-(methoxymethyl)benzamide
CID 95050216
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-(5-methyltetrazol-1-yl)benzamide
CID 74232043
4,5-dibromo-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)thiophene-2-carboxamide
CID 78975141
1-(4-acetylphenyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea
CID 72941380
2-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]-3-methylbutanoic acid
CID 43109582
N-(2-amino-2-methylpropyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 115303315
tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 65142849
N-(3-ethylpentan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 63836824
2-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]-3-hydroxypropanoic acid
CID 43097887

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide (CID 71887640) is N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)NC(Cn3ccnc3)C(C)(C)C)cc2c1C.
What is the InChIKey of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is RQFRYKRMUYZBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-13-14(2)22-17-7-6-15(10-16(13)17)19(25)23-18(20(3,4)5)11-24-9-8-21-12-24/h6-10,12,18,22H,11H2,1-5H3,(H,23,25).
What are the key properties of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide?
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 71887640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).