N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]benzamide

C20H14ClN3O — CID 875961

IUPACN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccccc1
InChIInChI=1S/C20H14ClN3O/c21-16-11-10-14(22-20(25)13-6-2-1-3-7-13)12-15(16)19-23-17-8-4-5-9-18(17)24-19/h1-12H,(H,22,25)(H,23,24)
InChIKeyNIEIBVAPUDRSFS-UHFFFAOYSA-N
MW347.81 g/mol
LogP5.14
Rot. Bonds3

About N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]benzamide

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]benzamide (PubChem CID 875961) has the molecular formula C20H14ClN3O and a molecular weight of 347.81 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]benzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]benzamide
PubChem CID875961
Molecular FormulaC20H14ClN3O
Molecular Weight347.81 g/mol
Exact Mass347.08
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccccc1
InChIInChI=1S/C20H14ClN3O/c21-16-11-10-14(22-20(25)13-6-2-1-3-7-13)12-15(16)19-23-17-8-4-5-9-18(17)24-19/h1-12H,(H,22,25)(H,23,24)
InChIKeyNIEIBVAPUDRSFS-UHFFFAOYSA-N
XLogP5.14
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.81
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]benzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]benzamide (CID 875961) is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]benzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]benzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]benzamide is O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccccc1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]benzamide?
The InChIKey is NIEIBVAPUDRSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O/c21-16-11-10-14(22-20(25)13-6-2-1-3-7-13)12-15(16)19-23-17-8-4-5-9-18(17)24-19/h1-12H,(H,22,25)(H,23,24).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]benzamide?
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]benzamide has a molecular weight of 347.81 g/mol, XLogP of 5.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]benzamide is sourced from PubChem (CID 875961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).