N-[2-(3-phenyl-1H-indol-2-yl)ethyl]imidazole-1-carboxamide

C20H18N4O — CID 10088020

IUPACN-[2-(3-phenyl-1H-indol-2-yl)ethyl]imidazole-1-carboxamide
SMILESO=C(NCCc1[nH]c2ccccc2c1-c1ccccc1)n1ccnc1
InChIInChI=1S/C20H18N4O/c25-20(24-13-12-21-14-24)22-11-10-18-19(15-6-2-1-3-7-15)16-8-4-5-9-17(16)23-18/h1-9,12-14,23H,10-11H2,(H,22,25)
InChIKeyXSRRBQVBGHMCAG-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.83
Rot. Bonds4

About N-[2-(3-phenyl-1H-indol-2-yl)ethyl]imidazole-1-carboxamide

N-[2-(3-phenyl-1H-indol-2-yl)ethyl]imidazole-1-carboxamide (PubChem CID 10088020) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[2-(3-phenyl-1H-indol-2-yl)ethyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-phenyl-1H-indol-2-yl)ethyl]imidazole-1-carboxamide
PubChem CID10088020
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-[2-(3-phenyl-1H-indol-2-yl)ethyl]imidazole-1-carboxamide
SMILESO=C(NCCc1[nH]c2ccccc2c1-c1ccccc1)n1ccnc1
InChIInChI=1S/C20H18N4O/c25-20(24-13-12-21-14-24)22-11-10-18-19(15-6-2-1-3-7-15)16-8-4-5-9-17(16)23-18/h1-9,12-14,23H,10-11H2,(H,22,25)
InChIKeyXSRRBQVBGHMCAG-UHFFFAOYSA-N
XLogP3.83
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenyl-1H-indol-2-yl)ethyl]imidazole-1-carboxamide?
The IUPAC name of N-[2-(3-phenyl-1H-indol-2-yl)ethyl]imidazole-1-carboxamide (CID 10088020) is N-[2-(3-phenyl-1H-indol-2-yl)ethyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[2-(3-phenyl-1H-indol-2-yl)ethyl]imidazole-1-carboxamide?
The canonical SMILES for N-[2-(3-phenyl-1H-indol-2-yl)ethyl]imidazole-1-carboxamide is O=C(NCCc1[nH]c2ccccc2c1-c1ccccc1)n1ccnc1.
What is the InChIKey of N-[2-(3-phenyl-1H-indol-2-yl)ethyl]imidazole-1-carboxamide?
The InChIKey is XSRRBQVBGHMCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c25-20(24-13-12-21-14-24)22-11-10-18-19(15-6-2-1-3-7-15)16-8-4-5-9-17(16)23-18/h1-9,12-14,23H,10-11H2,(H,22,25).
What are the key properties of N-[2-(3-phenyl-1H-indol-2-yl)ethyl]imidazole-1-carboxamide?
N-[2-(3-phenyl-1H-indol-2-yl)ethyl]imidazole-1-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenyl-1H-indol-2-yl)ethyl]imidazole-1-carboxamide is sourced from PubChem (CID 10088020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).