N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-2-(1H-imidazol-5-yl)acetamide

C16H17FN4O — CID 166254376

IUPACN-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-2-(1H-imidazol-5-yl)acetamide
SMILESCn1cc(CCNC(=O)Cc2cnc[nH]2)c2ccc(F)cc21
InChIInChI=1S/C16H17FN4O/c1-21-9-11(14-3-2-12(17)6-15(14)21)4-5-19-16(22)7-13-8-18-10-20-13/h2-3,6,8-10H,4-5,7H2,1H3,(H,18,20)(H,19,22)
InChIKeyOXLQZSVBKDIAIN-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.94
Rot. Bonds5

About N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-2-(1H-imidazol-5-yl)acetamide

N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-2-(1H-imidazol-5-yl)acetamide (PubChem CID 166254376) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-2-(1H-imidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-2-(1H-imidazol-5-yl)acetamide
PubChem CID166254376
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC NameN-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-2-(1H-imidazol-5-yl)acetamide
SMILESCn1cc(CCNC(=O)Cc2cnc[nH]2)c2ccc(F)cc21
InChIInChI=1S/C16H17FN4O/c1-21-9-11(14-3-2-12(17)6-15(14)21)4-5-19-16(22)7-13-8-18-10-20-13/h2-3,6,8-10H,4-5,7H2,1H3,(H,18,20)(H,19,22)
InChIKeyOXLQZSVBKDIAIN-UHFFFAOYSA-N
XLogP1.94
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-(1H-imidazol-5-yl)acetamide
CID 110684086
but-2-enedioic acid;1-(5-fluoro-1-methylindol-3-yl)-3-(1H-imidazol-5-yl)propan-2-one
CID 70042708
N-ethyl-2-(6-fluoro-1-methylindol-3-yl)ethanamine
CID 82494111
N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-ethoxyacetamide
CID 99825750
1-(2,4-difluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 10825620
N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412
N-ethyl-2-(1H-imidazol-5-yl)acetamide;sulfanylidenephosphane
CID 91572909
4-(6-fluoro-1-methylindol-3-yl)butan-2-amine
CID 82494112
N-[2-(1H-imidazol-5-yl)ethyl]-2-pyridin-4-ylacetamide
CID 65232429
2-chloro-N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-5-pyrazol-1-ylbenzamide
CID 46975356
N-[3-(dimethylamino)propyl]-2-(1H-imidazol-5-yl)acetamide
CID 110684062
N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 46976195

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-2-(1H-imidazol-5-yl)acetamide?
The IUPAC name of N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-2-(1H-imidazol-5-yl)acetamide (CID 166254376) is N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-2-(1H-imidazol-5-yl)acetamide.
What is the SMILES notation for N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-2-(1H-imidazol-5-yl)acetamide?
The canonical SMILES for N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-2-(1H-imidazol-5-yl)acetamide is Cn1cc(CCNC(=O)Cc2cnc[nH]2)c2ccc(F)cc21.
What is the InChIKey of N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-2-(1H-imidazol-5-yl)acetamide?
The InChIKey is OXLQZSVBKDIAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-21-9-11(14-3-2-12(17)6-15(14)21)4-5-19-16(22)7-13-8-18-10-20-13/h2-3,6,8-10H,4-5,7H2,1H3,(H,18,20)(H,19,22).
What are the key properties of N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-2-(1H-imidazol-5-yl)acetamide?
N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-2-(1H-imidazol-5-yl)acetamide has a molecular weight of 300.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-2-(1H-imidazol-5-yl)acetamide is sourced from PubChem (CID 166254376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).