7-chloro-N,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide

C17H18ClN3O2 — CID 24792993

IUPAC7-chloro-N,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(Cl)c2oc(C(=O)N(C)Cc3nccn3C)c(C)c2c1
InChIInChI=1S/C17H18ClN3O2/c1-10-7-12-11(2)15(23-16(12)13(18)8-10)17(22)21(4)9-14-19-5-6-20(14)3/h5-8H,9H2,1-4H3
InChIKeyMMFWTTYZNANXBW-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.71
Rot. Bonds3

About 7-chloro-N,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide

7-chloro-N,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 24792993) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 7-chloro-N,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID24792993
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name7-chloro-N,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(Cl)c2oc(C(=O)N(C)Cc3nccn3C)c(C)c2c1
InChIInChI=1S/C17H18ClN3O2/c1-10-7-12-11(2)15(23-16(12)13(18)8-10)17(22)21(4)9-14-19-5-6-20(14)3/h5-8H,9H2,1-4H3
InChIKeyMMFWTTYZNANXBW-UHFFFAOYSA-N
XLogP3.71
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide (CID 24792993) is 7-chloro-N,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide is Cc1cc(Cl)c2oc(C(=O)N(C)Cc3nccn3C)c(C)c2c1.
What is the InChIKey of 7-chloro-N,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is MMFWTTYZNANXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-10-7-12-11(2)15(23-16(12)13(18)8-10)17(22)21(4)9-14-19-5-6-20(14)3/h5-8H,9H2,1-4H3.
What are the key properties of 7-chloro-N,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
7-chloro-N,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24792993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).