N-[(5-fluoro-1H-indol-2-yl)methyl]-N,3-dimethyl-2-phenylimidazole-4-carboxamide

C21H19FN4O — CID 156585037

IUPACN-[(5-fluoro-1H-indol-2-yl)methyl]-N,3-dimethyl-2-phenylimidazole-4-carboxamide
SMILESCN(Cc1cc2cc(F)ccc2[nH]1)C(=O)c1cnc(-c2ccccc2)n1C
InChIInChI=1S/C21H19FN4O/c1-25(13-17-11-15-10-16(22)8-9-18(15)24-17)21(27)19-12-23-20(26(19)2)14-6-4-3-5-7-14/h3-12,24H,13H2,1-2H3
InChIKeyFUQASBIZBCFKNA-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.98
Rot. Bonds4

About N-[(5-fluoro-1H-indol-2-yl)methyl]-N,3-dimethyl-2-phenylimidazole-4-carboxamide

N-[(5-fluoro-1H-indol-2-yl)methyl]-N,3-dimethyl-2-phenylimidazole-4-carboxamide (PubChem CID 156585037) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[(5-fluoro-1H-indol-2-yl)methyl]-N,3-dimethyl-2-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-fluoro-1H-indol-2-yl)methyl]-N,3-dimethyl-2-phenylimidazole-4-carboxamide
PubChem CID156585037
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC NameN-[(5-fluoro-1H-indol-2-yl)methyl]-N,3-dimethyl-2-phenylimidazole-4-carboxamide
SMILESCN(Cc1cc2cc(F)ccc2[nH]1)C(=O)c1cnc(-c2ccccc2)n1C
InChIInChI=1S/C21H19FN4O/c1-25(13-17-11-15-10-16(22)8-9-18(15)24-17)21(27)19-12-23-20(26(19)2)14-6-4-3-5-7-14/h3-12,24H,13H2,1-2H3
InChIKeyFUQASBIZBCFKNA-UHFFFAOYSA-N
XLogP3.98
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1H-indol-2-yl)methyl]-N,3-dimethyl-2-phenylimidazole-4-carboxamide?
The IUPAC name of N-[(5-fluoro-1H-indol-2-yl)methyl]-N,3-dimethyl-2-phenylimidazole-4-carboxamide (CID 156585037) is N-[(5-fluoro-1H-indol-2-yl)methyl]-N,3-dimethyl-2-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[(5-fluoro-1H-indol-2-yl)methyl]-N,3-dimethyl-2-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[(5-fluoro-1H-indol-2-yl)methyl]-N,3-dimethyl-2-phenylimidazole-4-carboxamide is CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)c1cnc(-c2ccccc2)n1C.
What is the InChIKey of N-[(5-fluoro-1H-indol-2-yl)methyl]-N,3-dimethyl-2-phenylimidazole-4-carboxamide?
The InChIKey is FUQASBIZBCFKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-25(13-17-11-15-10-16(22)8-9-18(15)24-17)21(27)19-12-23-20(26(19)2)14-6-4-3-5-7-14/h3-12,24H,13H2,1-2H3.
What are the key properties of N-[(5-fluoro-1H-indol-2-yl)methyl]-N,3-dimethyl-2-phenylimidazole-4-carboxamide?
N-[(5-fluoro-1H-indol-2-yl)methyl]-N,3-dimethyl-2-phenylimidazole-4-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1H-indol-2-yl)methyl]-N,3-dimethyl-2-phenylimidazole-4-carboxamide is sourced from PubChem (CID 156585037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).