2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

C19H18ClN5O — CID 28768564

IUPAC2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCN(CCc1nc2ccc(Cl)cc2[nH]1)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C19H18ClN5O/c1-25(10-9-17-21-15-8-7-14(20)11-16(15)22-17)12-18-23-19(24-26-18)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,21,22)
InChIKeyAFHAQMFYOBROJZ-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.94
Rot. Bonds6

About 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (PubChem CID 28768564) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
PubChem CID28768564
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCN(CCc1nc2ccc(Cl)cc2[nH]1)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C19H18ClN5O/c1-25(10-9-17-21-15-8-7-14(20)11-16(15)22-17)12-18-23-19(24-26-18)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,21,22)
InChIKeyAFHAQMFYOBROJZ-UHFFFAOYSA-N
XLogP3.94
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-methoxy-1H-benzimidazol-2-yl)-N-methyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 29087980
2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
CID 64725128
3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119912219
1-(3,4-dichlorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 9251541
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 82335889
1-(2-chlorophenyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 27097699
2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]ethanamine
CID 99951577
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
1-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 25284756
3,4-difluoro-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 86831668
2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8874480
5-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (CID 28768564) is 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is CN(CCc1nc2ccc(Cl)cc2[nH]1)Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The InChIKey is AFHAQMFYOBROJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-25(10-9-17-21-15-8-7-14(20)11-16(15)22-17)12-18-23-19(24-26-18)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,21,22).
What are the key properties of 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine has a molecular weight of 367.84 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 28768564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).