N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide

C15H14F2N4O — CID 86284497

IUPACN-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide
SMILESCc1[nH]c2c(F)cc(F)cc2c1CCNC(=O)c1cnc[nH]1
InChIInChI=1S/C15H14F2N4O/c1-8-10(2-3-19-15(22)13-6-18-7-20-13)11-4-9(16)5-12(17)14(11)21-8/h4-7,21H,2-3H2,1H3,(H,18,20)(H,19,22)
InChIKeyDNOINZMOJZMUMP-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.45
Rot. Bonds4

About N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide

N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide (PubChem CID 86284497) has the molecular formula C15H14F2N4O and a molecular weight of 304.30 g/mol. Its IUPAC name is N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide
PubChem CID86284497
Molecular FormulaC15H14F2N4O
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC NameN-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide
SMILESCc1[nH]c2c(F)cc(F)cc2c1CCNC(=O)c1cnc[nH]1
InChIInChI=1S/C15H14F2N4O/c1-8-10(2-3-19-15(22)13-6-18-7-20-13)11-4-9(16)5-12(17)14(11)21-8/h4-7,21H,2-3H2,1H3,(H,18,20)(H,19,22)
InChIKeyDNOINZMOJZMUMP-UHFFFAOYSA-N
XLogP2.45
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide (CID 86284497) is N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide is Cc1[nH]c2c(F)cc(F)cc2c1CCNC(=O)c1cnc[nH]1.
What is the InChIKey of N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide?
The InChIKey is DNOINZMOJZMUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O/c1-8-10(2-3-19-15(22)13-6-18-7-20-13)11-4-9(16)5-12(17)14(11)21-8/h4-7,21H,2-3H2,1H3,(H,18,20)(H,19,22).
What are the key properties of N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide?
N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide has a molecular weight of 304.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 86284497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).