N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide

C19H14ClN3O2 — CID 1034468

IUPACN-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C19H14ClN3O2/c20-14-9-7-13(8-10-14)12-23-16-5-2-1-4-15(16)21-19(23)22-18(24)17-6-3-11-25-17/h1-11H,12H2,(H,21,22,24)
InChIKeyUYCKQUDIDRJMIM-UHFFFAOYSA-N
MW351.79 g/mol
LogP4.58
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide

N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide (PubChem CID 1034468) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide
PubChem CID1034468
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC NameN-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C19H14ClN3O2/c20-14-9-7-13(8-10-14)12-23-16-5-2-1-4-15(16)21-19(23)22-18(24)17-6-3-11-25-17/h1-11H,12H2,(H,21,22,24)
InChIKeyUYCKQUDIDRJMIM-UHFFFAOYSA-N
XLogP4.58
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide (CID 1034468) is N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide is O=C(Nc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccco1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide?
The InChIKey is UYCKQUDIDRJMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2/c20-14-9-7-13(8-10-14)12-23-16-5-2-1-4-15(16)21-19(23)22-18(24)17-6-3-11-25-17/h1-11H,12H2,(H,21,22,24).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide?
N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide has a molecular weight of 351.79 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 1034468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).