N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-hydroxy-N-methylbenzamide

C17H16ClN3O2 — CID 56710130

IUPACN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-hydroxy-N-methylbenzamide
SMILESCN(CCc1nc2ccc(Cl)cc2[nH]1)C(=O)c1ccccc1O
InChIInChI=1S/C17H16ClN3O2/c1-21(17(23)12-4-2-3-5-15(12)22)9-8-16-19-13-7-6-11(18)10-14(13)20-16/h2-7,10,22H,8-9H2,1H3,(H,19,20)
InChIKeyRQWDWODIBRQCBR-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.24
Rot. Bonds4

About N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-hydroxy-N-methylbenzamide

N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-hydroxy-N-methylbenzamide (PubChem CID 56710130) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-hydroxy-N-methylbenzamide
PubChem CID56710130
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-hydroxy-N-methylbenzamide
SMILESCN(CCc1nc2ccc(Cl)cc2[nH]1)C(=O)c1ccccc1O
InChIInChI=1S/C17H16ClN3O2/c1-21(17(23)12-4-2-3-5-15(12)22)9-8-16-19-13-7-6-11(18)10-14(13)20-16/h2-7,10,22H,8-9H2,1H3,(H,19,20)
InChIKeyRQWDWODIBRQCBR-UHFFFAOYSA-N
XLogP3.24
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-hydroxy-N-methylbenzamide?
The IUPAC name of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-hydroxy-N-methylbenzamide (CID 56710130) is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-hydroxy-N-methylbenzamide?
The canonical SMILES for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-hydroxy-N-methylbenzamide is CN(CCc1nc2ccc(Cl)cc2[nH]1)C(=O)c1ccccc1O.
What is the InChIKey of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-hydroxy-N-methylbenzamide?
The InChIKey is RQWDWODIBRQCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-21(17(23)12-4-2-3-5-15(12)22)9-8-16-19-13-7-6-11(18)10-14(13)20-16/h2-7,10,22H,8-9H2,1H3,(H,19,20).
What are the key properties of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-hydroxy-N-methylbenzamide?
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-hydroxy-N-methylbenzamide has a molecular weight of 329.79 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 56710130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).