N-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

C22H21N3O3 — CID 142498639

IUPACN-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
SMILESCOc1cc(-n2cnc(Nc3ccc4ccccc4c3)c2)cc(OC)c1OC
InChIInChI=1S/C22H21N3O3/c1-26-19-11-18(12-20(27-2)22(19)28-3)25-13-21(23-14-25)24-17-9-8-15-6-4-5-7-16(15)10-17/h4-14,24H,1-3H3
InChIKeyDJBAGBRGQWESGI-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.79
Rot. Bonds6

About N-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

N-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (PubChem CID 142498639) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
PubChem CID142498639
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
SMILESCOc1cc(-n2cnc(Nc3ccc4ccccc4c3)c2)cc(OC)c1OC
InChIInChI=1S/C22H21N3O3/c1-26-19-11-18(12-20(27-2)22(19)28-3)25-13-21(23-14-25)24-17-9-8-15-6-4-5-7-16(15)10-17/h4-14,24H,1-3H3
InChIKeyDJBAGBRGQWESGI-UHFFFAOYSA-N
XLogP4.79
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
The IUPAC name of N-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (CID 142498639) is N-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.
What is the SMILES notation for N-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
The canonical SMILES for N-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is COc1cc(-n2cnc(Nc3ccc4ccccc4c3)c2)cc(OC)c1OC.
What is the InChIKey of N-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
The InChIKey is DJBAGBRGQWESGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-26-19-11-18(12-20(27-2)22(19)28-3)25-13-21(23-14-25)24-17-9-8-15-6-4-5-7-16(15)10-17/h4-14,24H,1-3H3.
What are the key properties of N-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
N-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazol-4-amine has a molecular weight of 375.43 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 142498639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).