N-[4-[2-(dimethylamino)ethyl]-1H-benzimidazol-2-yl]benzamide;hydrochloride

C18H21ClN4O — CID 70250541

IUPACN-[4-[2-(dimethylamino)ethyl]-1H-benzimidazol-2-yl]benzamide;hydrochloride
SMILESCN(C)CCc1cccc2[nH]c(NC(=O)c3ccccc3)nc12.Cl
InChIInChI=1S/C18H20N4O.ClH/c1-22(2)12-11-13-9-6-10-15-16(13)20-18(19-15)21-17(23)14-7-4-3-5-8-14;/h3-10H,11-12H2,1-2H3,(H2,19,20,21,23);1H
InChIKeyOFQZBFFQWXPPPB-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.34
Rot. Bonds5

About N-[4-[2-(dimethylamino)ethyl]-1H-benzimidazol-2-yl]benzamide;hydrochloride

N-[4-[2-(dimethylamino)ethyl]-1H-benzimidazol-2-yl]benzamide;hydrochloride (PubChem CID 70250541) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethyl]-1H-benzimidazol-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethyl]-1H-benzimidazol-2-yl]benzamide;hydrochloride
PubChem CID70250541
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC NameN-[4-[2-(dimethylamino)ethyl]-1H-benzimidazol-2-yl]benzamide;hydrochloride
SMILESCN(C)CCc1cccc2[nH]c(NC(=O)c3ccccc3)nc12.Cl
InChIInChI=1S/C18H20N4O.ClH/c1-22(2)12-11-13-9-6-10-15-16(13)20-18(19-15)21-17(23)14-7-4-3-5-8-14;/h3-10H,11-12H2,1-2H3,(H2,19,20,21,23);1H
InChIKeyOFQZBFFQWXPPPB-UHFFFAOYSA-N
XLogP3.34
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethyl]-1H-benzimidazol-2-yl]benzamide;hydrochloride?
The IUPAC name of N-[4-[2-(dimethylamino)ethyl]-1H-benzimidazol-2-yl]benzamide;hydrochloride (CID 70250541) is N-[4-[2-(dimethylamino)ethyl]-1H-benzimidazol-2-yl]benzamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethyl]-1H-benzimidazol-2-yl]benzamide;hydrochloride?
The canonical SMILES for N-[4-[2-(dimethylamino)ethyl]-1H-benzimidazol-2-yl]benzamide;hydrochloride is CN(C)CCc1cccc2[nH]c(NC(=O)c3ccccc3)nc12.Cl.
What is the InChIKey of N-[4-[2-(dimethylamino)ethyl]-1H-benzimidazol-2-yl]benzamide;hydrochloride?
The InChIKey is OFQZBFFQWXPPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O.ClH/c1-22(2)12-11-13-9-6-10-15-16(13)20-18(19-15)21-17(23)14-7-4-3-5-8-14;/h3-10H,11-12H2,1-2H3,(H2,19,20,21,23);1H.
What are the key properties of N-[4-[2-(dimethylamino)ethyl]-1H-benzimidazol-2-yl]benzamide;hydrochloride?
N-[4-[2-(dimethylamino)ethyl]-1H-benzimidazol-2-yl]benzamide;hydrochloride has a molecular weight of 344.85 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethyl]-1H-benzimidazol-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 70250541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).