N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]-2-(1-methylindol-3-yl)propanamide

C18H22N4O — CID 166306206

IUPACN-[2-(2-methyl-1H-imidazol-5-yl)ethyl]-2-(1-methylindol-3-yl)propanamide
SMILESCc1ncc(CCNC(=O)C(C)c2cn(C)c3ccccc23)[nH]1
InChIInChI=1S/C18H22N4O/c1-12(16-11-22(3)17-7-5-4-6-15(16)17)18(23)19-9-8-14-10-20-13(2)21-14/h4-7,10-12H,8-9H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyJSQRKHSOVOSDEM-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.67
Rot. Bonds5

About N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]-2-(1-methylindol-3-yl)propanamide

N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]-2-(1-methylindol-3-yl)propanamide (PubChem CID 166306206) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]-2-(1-methylindol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1H-imidazol-5-yl)ethyl]-2-(1-methylindol-3-yl)propanamide
PubChem CID166306206
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[2-(2-methyl-1H-imidazol-5-yl)ethyl]-2-(1-methylindol-3-yl)propanamide
SMILESCc1ncc(CCNC(=O)C(C)c2cn(C)c3ccccc23)[nH]1
InChIInChI=1S/C18H22N4O/c1-12(16-11-22(3)17-7-5-4-6-15(16)17)18(23)19-9-8-14-10-20-13(2)21-14/h4-7,10-12H,8-9H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyJSQRKHSOVOSDEM-UHFFFAOYSA-N
XLogP2.67
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]acetamide
CID 166306203
N-(5-iodo-3-methyl-2-pyridinyl)-2-(1-methylindol-3-yl)propanamide
CID 166223965
methyl 2-(1-methylindol-3-yl)propanoate
CID 11117483
3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]propanamide
CID 110666502
3-methyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]-5-phenyltriazole-4-carboxamide
CID 166306214
1-tert-butyl-3-[2-(2-methyl-1H-imidazol-5-yl)ethyl]urea
CID 110666641
(3R)-3-(1-methylindol-3-yl)-1-phenylbutan-1-one
CID 101252968
4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
CID 110666505
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761
1-methyl-3-propan-2-ylindole
CID 10942942
methyl N-[2-(1-methylindol-3-yl)ethyl]carbamate
CID 14613226
1-methyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 29353033

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]-2-(1-methylindol-3-yl)propanamide?
The IUPAC name of N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]-2-(1-methylindol-3-yl)propanamide (CID 166306206) is N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]-2-(1-methylindol-3-yl)propanamide.
What is the SMILES notation for N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]-2-(1-methylindol-3-yl)propanamide?
The canonical SMILES for N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]-2-(1-methylindol-3-yl)propanamide is Cc1ncc(CCNC(=O)C(C)c2cn(C)c3ccccc23)[nH]1.
What is the InChIKey of N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]-2-(1-methylindol-3-yl)propanamide?
The InChIKey is JSQRKHSOVOSDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-12(16-11-22(3)17-7-5-4-6-15(16)17)18(23)19-9-8-14-10-20-13(2)21-14/h4-7,10-12H,8-9H2,1-3H3,(H,19,23)(H,20,21).
What are the key properties of N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]-2-(1-methylindol-3-yl)propanamide?
N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]-2-(1-methylindol-3-yl)propanamide has a molecular weight of 310.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]-2-(1-methylindol-3-yl)propanamide is sourced from PubChem (CID 166306206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).