N,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)oxybutan-2-yl]-2-(triazol-2-yl)benzamide

C23H26N6O2 — CID 131985614

IUPACN,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)oxybutan-2-yl]-2-(triazol-2-yl)benzamide
SMILESCCC(COc1nc2ccccc2n1C)N(C)C(=O)c1cc(C)ccc1-n1nccn1
InChIInChI=1S/C23H26N6O2/c1-5-17(15-31-23-26-19-8-6-7-9-21(19)28(23)4)27(3)22(30)18-14-16(2)10-11-20(18)29-24-12-13-25-29/h6-14,17H,5,15H2,1-4H3
InChIKeyXSIDAZMZGTZLQZ-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.39
Rot. Bonds7

About N,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)oxybutan-2-yl]-2-(triazol-2-yl)benzamide

N,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)oxybutan-2-yl]-2-(triazol-2-yl)benzamide (PubChem CID 131985614) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)oxybutan-2-yl]-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)oxybutan-2-yl]-2-(triazol-2-yl)benzamide
PubChem CID131985614
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)oxybutan-2-yl]-2-(triazol-2-yl)benzamide
SMILESCCC(COc1nc2ccccc2n1C)N(C)C(=O)c1cc(C)ccc1-n1nccn1
InChIInChI=1S/C23H26N6O2/c1-5-17(15-31-23-26-19-8-6-7-9-21(19)28(23)4)27(3)22(30)18-14-16(2)10-11-20(18)29-24-12-13-25-29/h6-14,17H,5,15H2,1-4H3
InChIKeyXSIDAZMZGTZLQZ-UHFFFAOYSA-N
XLogP3.39
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide
CID 118917706
5-chloro-N-methyl-N-[(3S)-1-quinolin-2-ylpentan-3-yl]-2-(triazol-2-yl)benzamide
CID 157142929
N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide
CID 72700457
N-ethyl-N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 90069302
N-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethyl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide
CID 25204740
2-methoxy-1-methylbenzimidazole;propane
CID 160678842
2-bromo-N,5-dimethyl-N-pentan-3-ylbenzamide
CID 80979017
N-ethyl-5-methyl-N-[2-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389881
5-chloro-N-methyl-2-(triazol-2-yl)-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]butan-2-yl]benzamide
CID 118917698
N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 90069281
N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide
CID 160569720
ethyl 2-(1,5-dimethylbenzimidazol-2-yl)butanoate
CID 79474558

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)oxybutan-2-yl]-2-(triazol-2-yl)benzamide?
The IUPAC name of N,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)oxybutan-2-yl]-2-(triazol-2-yl)benzamide (CID 131985614) is N,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)oxybutan-2-yl]-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)oxybutan-2-yl]-2-(triazol-2-yl)benzamide?
The canonical SMILES for N,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)oxybutan-2-yl]-2-(triazol-2-yl)benzamide is CCC(COc1nc2ccccc2n1C)N(C)C(=O)c1cc(C)ccc1-n1nccn1.
What is the InChIKey of N,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)oxybutan-2-yl]-2-(triazol-2-yl)benzamide?
The InChIKey is XSIDAZMZGTZLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-5-17(15-31-23-26-19-8-6-7-9-21(19)28(23)4)27(3)22(30)18-14-16(2)10-11-20(18)29-24-12-13-25-29/h6-14,17H,5,15H2,1-4H3.
What are the key properties of N,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)oxybutan-2-yl]-2-(triazol-2-yl)benzamide?
N,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)oxybutan-2-yl]-2-(triazol-2-yl)benzamide has a molecular weight of 418.50 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)oxybutan-2-yl]-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 131985614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).