3-imidazol-1-yl-2-methyl-N-[1-(1-methylindol-6-yl)ethyl]propanamide

C18H22N4O — CID 166301013

IUPAC3-imidazol-1-yl-2-methyl-N-[1-(1-methylindol-6-yl)ethyl]propanamide
SMILESCC(Cn1ccnc1)C(=O)NC(C)c1ccc2ccn(C)c2c1
InChIInChI=1S/C18H22N4O/c1-13(11-22-9-7-19-12-22)18(23)20-14(2)16-5-4-15-6-8-21(3)17(15)10-16/h4-10,12-14H,11H2,1-3H3,(H,20,23)
InChIKeyPONSPSASUWGOEX-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.89
Rot. Bonds5

About 3-imidazol-1-yl-2-methyl-N-[1-(1-methylindol-6-yl)ethyl]propanamide

3-imidazol-1-yl-2-methyl-N-[1-(1-methylindol-6-yl)ethyl]propanamide (PubChem CID 166301013) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-imidazol-1-yl-2-methyl-N-[1-(1-methylindol-6-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-imidazol-1-yl-2-methyl-N-[1-(1-methylindol-6-yl)ethyl]propanamide
PubChem CID166301013
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name3-imidazol-1-yl-2-methyl-N-[1-(1-methylindol-6-yl)ethyl]propanamide
SMILESCC(Cn1ccnc1)C(=O)NC(C)c1ccc2ccn(C)c2c1
InChIInChI=1S/C18H22N4O/c1-13(11-22-9-7-19-12-22)18(23)20-14(2)16-5-4-15-6-8-21(3)17(15)10-16/h4-10,12-14H,11H2,1-3H3,(H,20,23)
InChIKeyPONSPSASUWGOEX-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-imidazol-1-ylacetamide
CID 36795605
3-amino-3-(1-methylindol-6-yl)propanoic acid
CID 82614847
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
CID 94168627
1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61324694
(2-imidazol-1-yl-1-naphthalen-2-ylethyl) 2-methylbutanoate
CID 176730718
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020442
di(imidazol-1-yl)methanone;(2R)-4,4,4-trifluoro-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 161027435
4-[1-(1-imidazol-1-ylpropan-2-ylamino)ethyl]phenol
CID 43749727
2-(1-imidazol-1-ylpropan-2-ylamino)-N-propan-2-ylacetamide
CID 61482336
1-imidazol-1-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine
CID 43749714
(2S)-2-amino-N-(2-imidazol-1-ylethyl)-3-methylpentanamide
CID 61326563

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-2-methyl-N-[1-(1-methylindol-6-yl)ethyl]propanamide?
The IUPAC name of 3-imidazol-1-yl-2-methyl-N-[1-(1-methylindol-6-yl)ethyl]propanamide (CID 166301013) is 3-imidazol-1-yl-2-methyl-N-[1-(1-methylindol-6-yl)ethyl]propanamide.
What is the SMILES notation for 3-imidazol-1-yl-2-methyl-N-[1-(1-methylindol-6-yl)ethyl]propanamide?
The canonical SMILES for 3-imidazol-1-yl-2-methyl-N-[1-(1-methylindol-6-yl)ethyl]propanamide is CC(Cn1ccnc1)C(=O)NC(C)c1ccc2ccn(C)c2c1.
What is the InChIKey of 3-imidazol-1-yl-2-methyl-N-[1-(1-methylindol-6-yl)ethyl]propanamide?
The InChIKey is PONSPSASUWGOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13(11-22-9-7-19-12-22)18(23)20-14(2)16-5-4-15-6-8-21(3)17(15)10-16/h4-10,12-14H,11H2,1-3H3,(H,20,23).
What are the key properties of 3-imidazol-1-yl-2-methyl-N-[1-(1-methylindol-6-yl)ethyl]propanamide?
3-imidazol-1-yl-2-methyl-N-[1-(1-methylindol-6-yl)ethyl]propanamide has a molecular weight of 310.40 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-2-methyl-N-[1-(1-methylindol-6-yl)ethyl]propanamide is sourced from PubChem (CID 166301013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).