N-[(1-methylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-chromene-3-carboxamide

C25H25N3O2 — CID 42794202

IUPACN-[(1-methylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-chromene-3-carboxamide
SMILESCn1ccnc1CN(C(=O)C1=Cc2ccccc2OC1)C1CCCc2ccccc21
InChIInChI=1S/C25H25N3O2/c1-27-14-13-26-24(27)16-28(22-11-6-9-18-7-2-4-10-21(18)22)25(29)20-15-19-8-3-5-12-23(19)30-17-20/h2-5,7-8,10,12-15,22H,6,9,11,16-17H2,1H3
InChIKeyFPDBIBPEBFQOFE-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.30
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-chromene-3-carboxamide

N-[(1-methylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-chromene-3-carboxamide (PubChem CID 42794202) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-chromene-3-carboxamide
PubChem CID42794202
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-chromene-3-carboxamide
SMILESCn1ccnc1CN(C(=O)C1=Cc2ccccc2OC1)C1CCCc2ccccc21
InChIInChI=1S/C25H25N3O2/c1-27-14-13-26-24(27)16-28(22-11-6-9-18-7-2-4-10-21(18)22)25(29)20-15-19-8-3-5-12-23(19)30-17-20/h2-5,7-8,10,12-15,22H,6,9,11,16-17H2,1H3
InChIKeyFPDBIBPEBFQOFE-UHFFFAOYSA-N
XLogP4.30
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-chromene-3-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-chromene-3-carboxamide (CID 42794202) is N-[(1-methylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-chromene-3-carboxamide is Cn1ccnc1CN(C(=O)C1=Cc2ccccc2OC1)C1CCCc2ccccc21.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-chromene-3-carboxamide?
The InChIKey is FPDBIBPEBFQOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-27-14-13-26-24(27)16-28(22-11-6-9-18-7-2-4-10-21(18)22)25(29)20-15-19-8-3-5-12-23(19)30-17-20/h2-5,7-8,10,12-15,22H,6,9,11,16-17H2,1H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-chromene-3-carboxamide?
N-[(1-methylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-chromene-3-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 42794202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).