N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide

C19H16ClN3O2 — CID 72922696

IUPACN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide
SMILESCc1cc2cc(C(=O)N(C)Cc3nc4ccc(Cl)cc4[nH]3)ccc2o1
InChIInChI=1S/C19H16ClN3O2/c1-11-7-13-8-12(3-6-17(13)25-11)19(24)23(2)10-18-21-15-5-4-14(20)9-16(15)22-18/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyXQNWAQYPNAGAIM-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.54
Rot. Bonds3

About N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide (PubChem CID 72922696) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide
PubChem CID72922696
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide
SMILESCc1cc2cc(C(=O)N(C)Cc3nc4ccc(Cl)cc4[nH]3)ccc2o1
InChIInChI=1S/C19H16ClN3O2/c1-11-7-13-8-12(3-6-17(13)25-11)19(24)23(2)10-18-21-15-5-4-14(20)9-16(15)22-18/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyXQNWAQYPNAGAIM-UHFFFAOYSA-N
XLogP4.54
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide?
The IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide (CID 72922696) is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide is Cc1cc2cc(C(=O)N(C)Cc3nc4ccc(Cl)cc4[nH]3)ccc2o1.
What is the InChIKey of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide?
The InChIKey is XQNWAQYPNAGAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-11-7-13-8-12(3-6-17(13)25-11)19(24)23(2)10-18-21-15-5-4-14(20)9-16(15)22-18/h3-9H,10H2,1-2H3,(H,21,22).
What are the key properties of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide?
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide is sourced from PubChem (CID 72922696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).