(2R)-2-[5-(5-fluoro-3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]propanamide

C21H19FN4O — CID 50975056

IUPAC(2R)-2-[5-(5-fluoro-3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]propanamide
SMILESCc1c(-c2c(-c3ccccc3)ncn2[C@H](C)C(N)=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C21H19FN4O/c1-12-16-10-15(22)8-9-17(16)25-18(12)20-19(14-6-4-3-5-7-14)24-11-26(20)13(2)21(23)27/h3-11,13,25H,1-2H3,(H2,23,27)/t13-/m1/s1
InChIKeyLHHXWBNFYSOAPZ-CYBMUJFWSA-N
MW362.41 g/mol
LogP4.19
Rot. Bonds4

About (2R)-2-[5-(5-fluoro-3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]propanamide

(2R)-2-[5-(5-fluoro-3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]propanamide (PubChem CID 50975056) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is (2R)-2-[5-(5-fluoro-3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-[5-(5-fluoro-3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]propanamide
PubChem CID50975056
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name(2R)-2-[5-(5-fluoro-3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]propanamide
SMILESCc1c(-c2c(-c3ccccc3)ncn2[C@H](C)C(N)=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C21H19FN4O/c1-12-16-10-15(22)8-9-17(16)25-18(12)20-19(14-6-4-3-5-7-14)24-11-26(20)13(2)21(23)27/h3-11,13,25H,1-2H3,(H2,23,27)/t13-/m1/s1
InChIKeyLHHXWBNFYSOAPZ-CYBMUJFWSA-N
XLogP4.19
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-fluoro-2-phenyl-1H-indol-3-yl)acetamide
CID 152609120
1-(5-fluoro-2-phenyl-1H-indol-3-yl)ethanamine
CID 82023996
5-fluoro-3-methyl-1H-indole-2-carboxylic acid
CID 1132967
3-(5-fluoro-3-methyl-1H-indol-2-yl)-2-methylpropanoic acid
CID 83859681
5-[[5-(3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole
CID 50975770
[5-(5-fluoro-3-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]methanamine
CID 82385831
8-fluoro-3-[(1S)-1-phenylethyl]-5H-pyrimido[5,4-b]indol-4-one
CID 92734033
2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1,3-thiazole-4-carboxylic acid
CID 164907353
(2S)-N,N-dimethyl-2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)propanamide
CID 95141785
6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-2-sulfonyl-1H-pyrimidine
CID 22722069
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17458105
3-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228674

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-(5-fluoro-3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]propanamide?
The IUPAC name of (2R)-2-[5-(5-fluoro-3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]propanamide (CID 50975056) is (2R)-2-[5-(5-fluoro-3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]propanamide.
What is the SMILES notation for (2R)-2-[5-(5-fluoro-3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]propanamide?
The canonical SMILES for (2R)-2-[5-(5-fluoro-3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]propanamide is Cc1c(-c2c(-c3ccccc3)ncn2[C@H](C)C(N)=O)[nH]c2ccc(F)cc12.
What is the InChIKey of (2R)-2-[5-(5-fluoro-3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]propanamide?
The InChIKey is LHHXWBNFYSOAPZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-12-16-10-15(22)8-9-17(16)25-18(12)20-19(14-6-4-3-5-7-14)24-11-26(20)13(2)21(23)27/h3-11,13,25H,1-2H3,(H2,23,27)/t13-/m1/s1.
What are the key properties of (2R)-2-[5-(5-fluoro-3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]propanamide?
(2R)-2-[5-(5-fluoro-3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]propanamide has a molecular weight of 362.41 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-(5-fluoro-3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]propanamide is sourced from PubChem (CID 50975056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).