N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-3,5-dimethylfuran-2-carboxamide

C20H21N3O2 — CID 97051236

IUPACN-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-3,5-dimethylfuran-2-carboxamide
SMILESCc1cc(C)c(C(=O)N[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)o1
InChIInChI=1S/C20H21N3O2/c1-13-11-14(2)25-19(13)20(24)22-18-16-6-4-3-5-15(16)7-8-17(18)23-10-9-21-12-23/h3-6,9-12,17-18H,7-8H2,1-2H3,(H,22,24)/t17-,18-/m0/s1
InChIKeyXEOUULAPIQUZHT-ROUUACIJSA-N
MW335.41 g/mol
LogP3.75
Rot. Bonds3

About N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-3,5-dimethylfuran-2-carboxamide

N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-3,5-dimethylfuran-2-carboxamide (PubChem CID 97051236) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-3,5-dimethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-3,5-dimethylfuran-2-carboxamide
PubChem CID97051236
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-3,5-dimethylfuran-2-carboxamide
SMILESCc1cc(C)c(C(=O)N[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)o1
InChIInChI=1S/C20H21N3O2/c1-13-11-14(2)25-19(13)20(24)22-18-16-6-4-3-5-15(16)7-8-17(18)23-10-9-21-12-23/h3-6,9-12,17-18H,7-8H2,1-2H3,(H,22,24)/t17-,18-/m0/s1
InChIKeyXEOUULAPIQUZHT-ROUUACIJSA-N
XLogP3.75
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-3,5-dimethylfuran-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-3,5-dimethylfuran-2-carboxamide (CID 97051236) is N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-3,5-dimethylfuran-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-3,5-dimethylfuran-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-3,5-dimethylfuran-2-carboxamide is Cc1cc(C)c(C(=O)N[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)o1.
What is the InChIKey of N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-3,5-dimethylfuran-2-carboxamide?
The InChIKey is XEOUULAPIQUZHT-ROUUACIJSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-11-14(2)25-19(13)20(24)22-18-16-6-4-3-5-15(16)7-8-17(18)23-10-9-21-12-23/h3-6,9-12,17-18H,7-8H2,1-2H3,(H,22,24)/t17-,18-/m0/s1.
What are the key properties of N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-3,5-dimethylfuran-2-carboxamide?
N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-3,5-dimethylfuran-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-3,5-dimethylfuran-2-carboxamide is sourced from PubChem (CID 97051236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).