2-(3-methylindol-1-yl)-N-[1-(2-methylpropyl)imidazol-2-yl]acetamide

C18H22N4O — CID 49495931

IUPAC2-(3-methylindol-1-yl)-N-[1-(2-methylpropyl)imidazol-2-yl]acetamide
SMILESCc1cn(CC(=O)Nc2nccn2CC(C)C)c2ccccc12
InChIInChI=1S/C18H22N4O/c1-13(2)10-21-9-8-19-18(21)20-17(23)12-22-11-14(3)15-6-4-5-7-16(15)22/h4-9,11,13H,10,12H2,1-3H3,(H,19,20,23)
InChIKeyGYAJRMBFYHWJOC-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.44
Rot. Bonds5

About 2-(3-methylindol-1-yl)-N-[1-(2-methylpropyl)imidazol-2-yl]acetamide

2-(3-methylindol-1-yl)-N-[1-(2-methylpropyl)imidazol-2-yl]acetamide (PubChem CID 49495931) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(3-methylindol-1-yl)-N-[1-(2-methylpropyl)imidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-methylindol-1-yl)-N-[1-(2-methylpropyl)imidazol-2-yl]acetamide
PubChem CID49495931
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-(3-methylindol-1-yl)-N-[1-(2-methylpropyl)imidazol-2-yl]acetamide
SMILESCc1cn(CC(=O)Nc2nccn2CC(C)C)c2ccccc12
InChIInChI=1S/C18H22N4O/c1-13(2)10-21-9-8-19-18(21)20-17(23)12-22-11-14(3)15-6-4-5-7-16(15)22/h4-9,11,13H,10,12H2,1-3H3,(H,19,20,23)
InChIKeyGYAJRMBFYHWJOC-UHFFFAOYSA-N
XLogP3.44
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N,N-dimethyl-2-[[2-(3-methylindol-1-yl)acetyl]amino]propanamide
CID 94388505
N,N-dimethyl-2-[[2-(3-methylindol-1-yl)acetyl]amino]propanamide
CID 49488611
(2S)-N-[1-(2-methylpropyl)imidazol-2-yl]-2-(1-oxoisoquinolin-2-yl)propanamide
CID 100742854
4-(methylamino)-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide
CID 119762499
7-amino-N-[1-(2-methylpropyl)imidazol-2-yl]heptanamide;hydrochloride
CID 119762492
4-amino-3-methoxy-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide;hydrochloride
CID 120590996
2-(4-acetamidoindol-1-yl)-N-[1-(2-methylpropyl)indol-4-yl]acetamide
CID 71827915
N-methyl-2-(3-methyl-4-oxoquinolin-1-yl)acetamide
CID 156677240
2-[2-(1-hydroxyethyl)imidazol-1-yl]-N-phenylacetamide
CID 142479688
N-methyl-2-(3-methylindol-1-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 94347341
6-amino-N-[1-(2-methylpropyl)imidazol-2-yl]pyridine-2-carboxamide;hydrochloride
CID 119999079
N-(3-methylbutyl)-2-(4-methylindol-1-yl)acetamide
CID 116620292

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylindol-1-yl)-N-[1-(2-methylpropyl)imidazol-2-yl]acetamide?
The IUPAC name of 2-(3-methylindol-1-yl)-N-[1-(2-methylpropyl)imidazol-2-yl]acetamide (CID 49495931) is 2-(3-methylindol-1-yl)-N-[1-(2-methylpropyl)imidazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-methylindol-1-yl)-N-[1-(2-methylpropyl)imidazol-2-yl]acetamide?
The canonical SMILES for 2-(3-methylindol-1-yl)-N-[1-(2-methylpropyl)imidazol-2-yl]acetamide is Cc1cn(CC(=O)Nc2nccn2CC(C)C)c2ccccc12.
What is the InChIKey of 2-(3-methylindol-1-yl)-N-[1-(2-methylpropyl)imidazol-2-yl]acetamide?
The InChIKey is GYAJRMBFYHWJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13(2)10-21-9-8-19-18(21)20-17(23)12-22-11-14(3)15-6-4-5-7-16(15)22/h4-9,11,13H,10,12H2,1-3H3,(H,19,20,23).
What are the key properties of 2-(3-methylindol-1-yl)-N-[1-(2-methylpropyl)imidazol-2-yl]acetamide?
2-(3-methylindol-1-yl)-N-[1-(2-methylpropyl)imidazol-2-yl]acetamide has a molecular weight of 310.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylindol-1-yl)-N-[1-(2-methylpropyl)imidazol-2-yl]acetamide is sourced from PubChem (CID 49495931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).