N-[2-(1H-imidazol-5-yl)ethyl]-3,5-dimethoxybenzamide

C14H17N3O3 — CID 4047262

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2cnc[nH]2)c1
InChIInChI=1S/C14H17N3O3/c1-19-12-5-10(6-13(7-12)20-2)14(18)16-4-3-11-8-15-9-17-11/h5-9H,3-4H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyBAHARXNHDVTGPP-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.40
Rot. Bonds6

About N-[2-(1H-imidazol-5-yl)ethyl]-3,5-dimethoxybenzamide

N-[2-(1H-imidazol-5-yl)ethyl]-3,5-dimethoxybenzamide (PubChem CID 4047262) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-3,5-dimethoxybenzamide
PubChem CID4047262
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2cnc[nH]2)c1
InChIInChI=1S/C14H17N3O3/c1-19-12-5-10(6-13(7-12)20-2)14(18)16-4-3-11-8-15-9-17-11/h5-9H,3-4H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyBAHARXNHDVTGPP-UHFFFAOYSA-N
XLogP1.40
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-3,5-dimethoxybenzamide (CID 4047262) is N-[2-(1H-imidazol-5-yl)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCc2cnc[nH]2)c1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is BAHARXNHDVTGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-19-12-5-10(6-13(7-12)20-2)14(18)16-4-3-11-8-15-9-17-11/h5-9H,3-4H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-3,5-dimethoxybenzamide?
N-[2-(1H-imidazol-5-yl)ethyl]-3,5-dimethoxybenzamide has a molecular weight of 275.31 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 4047262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).