N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide

C22H22N4O — CID 47011380

IUPACN-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)NC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C22H22N4O/c1-16-13-19-5-3-4-6-21(19)26(16)14-22(27)24-17(2)18-7-9-20(10-8-18)25-12-11-23-15-25/h3-13,15,17H,14H2,1-2H3,(H,24,27)
InChIKeyOJPWHRBJSHJINX-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.01
Rot. Bonds5

About N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide

N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide (PubChem CID 47011380) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide
PubChem CID47011380
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)NC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C22H22N4O/c1-16-13-19-5-3-4-6-21(19)26(16)14-22(27)24-17(2)18-7-9-20(10-8-18)25-12-11-23-15-25/h3-13,15,17H,14H2,1-2H3,(H,24,27)
InChIKeyOJPWHRBJSHJINX-UHFFFAOYSA-N
XLogP4.01
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylindol-1-yl)-N-(1-pyridin-3-ylethyl)acetamide
CID 51239093
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 43003584
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 27812010
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18112943
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 40809462
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 41082611
N-[(1S)-3-[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 41082924
N-[(1R)-3-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 41082928
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
CID 40718358
(E)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide
CID 24688119

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide?
The IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide (CID 47011380) is N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide.
What is the SMILES notation for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide?
The canonical SMILES for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide is Cc1cc2ccccc2n1CC(=O)NC(C)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide?
The InChIKey is OJPWHRBJSHJINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-16-13-19-5-3-4-6-21(19)26(16)14-22(27)24-17(2)18-7-9-20(10-8-18)25-12-11-23-15-25/h3-13,15,17H,14H2,1-2H3,(H,24,27).
What are the key properties of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide?
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide has a molecular weight of 358.45 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide is sourced from PubChem (CID 47011380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).