N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide

C22H21FN4O — CID 40809559

IUPACN-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)N[C@H](c1ccc(F)cc1)c1nccn1C
InChIInChI=1S/C22H21FN4O/c1-15-13-17-5-3-4-6-19(17)27(15)14-20(28)25-21(22-24-11-12-26(22)2)16-7-9-18(23)10-8-16/h3-13,21H,14H2,1-2H3,(H,25,28)/t21-/m1/s1
InChIKeyBNOCTOOIKZPRLM-OAQYLSRUSA-N
MW376.44 g/mol
LogP3.73
Rot. Bonds5

About N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide

N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide (PubChem CID 40809559) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide
PubChem CID40809559
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC NameN-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)N[C@H](c1ccc(F)cc1)c1nccn1C
InChIInChI=1S/C22H21FN4O/c1-15-13-17-5-3-4-6-19(17)27(15)14-20(28)25-21(22-24-11-12-26(22)2)16-7-9-18(23)10-8-16/h3-13,21H,14H2,1-2H3,(H,25,28)/t21-/m1/s1
InChIKeyBNOCTOOIKZPRLM-OAQYLSRUSA-N
XLogP3.73
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide
CID 17488613
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46698593
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25338605
2-(3-fluorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40952505
3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide
CID 55925130
2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51260009
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1H-indole-2-carboxamide
CID 46513330
N-[2-[[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 25369027
1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-naphthalen-1-ylurea
CID 24616480
2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25358319
N-[2-[[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-4-methylbenzamide
CID 25358357
N-[2-[[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 25404931

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide?
The IUPAC name of N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide (CID 40809559) is N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide.
What is the SMILES notation for N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide?
The canonical SMILES for N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide is Cc1cc2ccccc2n1CC(=O)N[C@H](c1ccc(F)cc1)c1nccn1C.
What is the InChIKey of N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide?
The InChIKey is BNOCTOOIKZPRLM-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-15-13-17-5-3-4-6-19(17)27(15)14-20(28)25-21(22-24-11-12-26(22)2)16-7-9-18(23)10-8-16/h3-13,21H,14H2,1-2H3,(H,25,28)/t21-/m1/s1.
What are the key properties of N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide?
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide has a molecular weight of 376.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide is sourced from PubChem (CID 40809559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).