2,6-dichloro-N-[1-(2-hydroxyethyl)-2-methylbenzimidazol-4-yl]benzamide;hydrochloride

C17H16Cl3N3O2 — CID 67637912

IUPAC2,6-dichloro-N-[1-(2-hydroxyethyl)-2-methylbenzimidazol-4-yl]benzamide;hydrochloride
SMILESCc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2n1CCO.Cl
InChIInChI=1S/C17H15Cl2N3O2.ClH/c1-10-20-16-13(6-3-7-14(16)22(10)8-9-23)21-17(24)15-11(18)4-2-5-12(15)19;/h2-7,23H,8-9H2,1H3,(H,21,24);1H
InChIKeyJMBLDPXRWLGKJJ-UHFFFAOYSA-N
MW400.69 g/mol
LogP4.32
Rot. Bonds4

About 2,6-dichloro-N-[1-(2-hydroxyethyl)-2-methylbenzimidazol-4-yl]benzamide;hydrochloride

2,6-dichloro-N-[1-(2-hydroxyethyl)-2-methylbenzimidazol-4-yl]benzamide;hydrochloride (PubChem CID 67637912) has the molecular formula C17H16Cl3N3O2 and a molecular weight of 400.69 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-(2-hydroxyethyl)-2-methylbenzimidazol-4-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name2,6-dichloro-N-[1-(2-hydroxyethyl)-2-methylbenzimidazol-4-yl]benzamide;hydrochloride
PubChem CID67637912
Molecular FormulaC17H16Cl3N3O2
Molecular Weight400.69 g/mol
Exact Mass399.03
IUPAC Name2,6-dichloro-N-[1-(2-hydroxyethyl)-2-methylbenzimidazol-4-yl]benzamide;hydrochloride
SMILESCc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2n1CCO.Cl
InChIInChI=1S/C17H15Cl2N3O2.ClH/c1-10-20-16-13(6-3-7-14(16)22(10)8-9-23)21-17(24)15-11(18)4-2-5-12(15)19;/h2-7,23H,8-9H2,1H3,(H,21,24);1H
InChIKeyJMBLDPXRWLGKJJ-UHFFFAOYSA-N
XLogP4.32
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.69
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-[2-methyl-1-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzimidazol-4-yl]benzamide
CID 54430863
2-[2-cyano-4-[(2,6-dichlorobenzoyl)amino]benzimidazol-1-yl]acetic acid
CID 67627824
4-[(2,6-dichlorobenzoyl)amino]-1-(2-oxopropyl)benzimidazole-2-carboxamide
CID 67651985
2,6-dichloro-N-(2-ethyl-1-phenacylbenzimidazol-4-yl)benzamide
CID 67636495
2,6-dichloro-N-[1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-oxoethyl]-2-(trifluoromethyl)benzimidazol-4-yl]benzamide
CID 139815618
2,6-dichloro-N-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide
CID 54237289
2,6-dichloro-N-(2-methylimidazo[1,2-a]pyridin-8-yl)benzamide
CID 10591757
2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide
CID 4547297
2,6-dichloro-N-[4-(2-methoxyethoxy)-2-methylquinolin-8-yl]benzamide
CID 139782319
2,6-dichloro-N-[2-cyano-1-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]benzimidazol-4-yl]benzamide
CID 139815633
2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 110292027
2,6-dichloro-N-(3,4-dichloroquinolin-8-yl)benzamide
CID 139782538

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-(2-hydroxyethyl)-2-methylbenzimidazol-4-yl]benzamide;hydrochloride?
The IUPAC name of 2,6-dichloro-N-[1-(2-hydroxyethyl)-2-methylbenzimidazol-4-yl]benzamide;hydrochloride (CID 67637912) is 2,6-dichloro-N-[1-(2-hydroxyethyl)-2-methylbenzimidazol-4-yl]benzamide;hydrochloride.
What is the SMILES notation for 2,6-dichloro-N-[1-(2-hydroxyethyl)-2-methylbenzimidazol-4-yl]benzamide;hydrochloride?
The canonical SMILES for 2,6-dichloro-N-[1-(2-hydroxyethyl)-2-methylbenzimidazol-4-yl]benzamide;hydrochloride is Cc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2n1CCO.Cl.
What is the InChIKey of 2,6-dichloro-N-[1-(2-hydroxyethyl)-2-methylbenzimidazol-4-yl]benzamide;hydrochloride?
The InChIKey is JMBLDPXRWLGKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2.ClH/c1-10-20-16-13(6-3-7-14(16)22(10)8-9-23)21-17(24)15-11(18)4-2-5-12(15)19;/h2-7,23H,8-9H2,1H3,(H,21,24);1H.
What are the key properties of 2,6-dichloro-N-[1-(2-hydroxyethyl)-2-methylbenzimidazol-4-yl]benzamide;hydrochloride?
2,6-dichloro-N-[1-(2-hydroxyethyl)-2-methylbenzimidazol-4-yl]benzamide;hydrochloride has a molecular weight of 400.69 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[1-(2-hydroxyethyl)-2-methylbenzimidazol-4-yl]benzamide;hydrochloride is sourced from PubChem (CID 67637912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).