2-tert-butyl-1-ethyl-N-methoxy-N-methylbenzimidazole-5-carboxamide;cyclohexane

C22H35N3O2 — CID 142973027

IUPAC2-tert-butyl-1-ethyl-N-methoxy-N-methylbenzimidazole-5-carboxamide;cyclohexane
SMILESC1CCCCC1.CCn1c(C(C)(C)C)nc2cc(C(=O)N(C)OC)ccc21
InChIInChI=1S/C16H23N3O2.C6H12/c1-7-19-13-9-8-11(14(20)18(5)21-6)10-12(13)17-15(19)16(2,3)4;1-2-4-6-5-3-1/h8-10H,7H2,1-6H3;1-6H2
InChIKeyZFMMYGZESRLPLY-UHFFFAOYSA-N
MW373.54 g/mol
LogP5.33
Rot. Bonds3

About 2-tert-butyl-1-ethyl-N-methoxy-N-methylbenzimidazole-5-carboxamide;cyclohexane

2-tert-butyl-1-ethyl-N-methoxy-N-methylbenzimidazole-5-carboxamide;cyclohexane (PubChem CID 142973027) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 2-tert-butyl-1-ethyl-N-methoxy-N-methylbenzimidazole-5-carboxamide;cyclohexane.

Molecular Properties

Compound Name2-tert-butyl-1-ethyl-N-methoxy-N-methylbenzimidazole-5-carboxamide;cyclohexane
PubChem CID142973027
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name2-tert-butyl-1-ethyl-N-methoxy-N-methylbenzimidazole-5-carboxamide;cyclohexane
SMILESC1CCCCC1.CCn1c(C(C)(C)C)nc2cc(C(=O)N(C)OC)ccc21
InChIInChI=1S/C16H23N3O2.C6H12/c1-7-19-13-9-8-11(14(20)18(5)21-6)10-12(13)17-15(19)16(2,3)4;1-2-4-6-5-3-1/h8-10H,7H2,1-6H3;1-6H2
InChIKeyZFMMYGZESRLPLY-UHFFFAOYSA-N
XLogP5.33
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.54
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-1-(cycloheptylmethyl)-N,N-diethylbenzimidazole-5-carboxamide
CID 142973031
1-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]ethanone
CID 142973004
2-tert-butyl-N-(diethylsulfamoyl)-1-ethyl-N-methylbenzimidazol-5-amine
CID 143022121
N-methoxy-N,1-dimethylbenzimidazole-5-carboxamide
CID 86665700
2-tert-butyl-1-ethyl-N-methylbenzimidazol-5-amine
CID 143022253
methyl 2-[[(2-tert-butyl-1-propylbenzimidazol-5-yl)-methylamino]sulfanyl-methylamino]acetate
CID 143203982
2-tert-butyl-1-ethyl-N-methyl-N-(3-methylimidazol-3-ium-1-yl)sulfanylbenzimidazol-5-amine
CID 143204170
N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,2,2-trimethylpropanamide
CID 11338075
2-tert-butyl-1-ethyl-5-pyrrolidin-1-ylsulfanylbenzimidazole
CID 143561916
2-tert-butyl-1-ethyl-N-methyl-N-piperazin-1-ylsulfanylbenzimidazol-5-amine
CID 143204263
1-(2-acetyl-1-ethylbenzimidazol-5-yl)ethanone
CID 21025939
2-tert-butyl-1-(oxepan-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 142972998

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-ethyl-N-methoxy-N-methylbenzimidazole-5-carboxamide;cyclohexane?
The IUPAC name of 2-tert-butyl-1-ethyl-N-methoxy-N-methylbenzimidazole-5-carboxamide;cyclohexane (CID 142973027) is 2-tert-butyl-1-ethyl-N-methoxy-N-methylbenzimidazole-5-carboxamide;cyclohexane.
What is the SMILES notation for 2-tert-butyl-1-ethyl-N-methoxy-N-methylbenzimidazole-5-carboxamide;cyclohexane?
The canonical SMILES for 2-tert-butyl-1-ethyl-N-methoxy-N-methylbenzimidazole-5-carboxamide;cyclohexane is C1CCCCC1.CCn1c(C(C)(C)C)nc2cc(C(=O)N(C)OC)ccc21.
What is the InChIKey of 2-tert-butyl-1-ethyl-N-methoxy-N-methylbenzimidazole-5-carboxamide;cyclohexane?
The InChIKey is ZFMMYGZESRLPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.C6H12/c1-7-19-13-9-8-11(14(20)18(5)21-6)10-12(13)17-15(19)16(2,3)4;1-2-4-6-5-3-1/h8-10H,7H2,1-6H3;1-6H2.
What are the key properties of 2-tert-butyl-1-ethyl-N-methoxy-N-methylbenzimidazole-5-carboxamide;cyclohexane?
2-tert-butyl-1-ethyl-N-methoxy-N-methylbenzimidazole-5-carboxamide;cyclohexane has a molecular weight of 373.54 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-ethyl-N-methoxy-N-methylbenzimidazole-5-carboxamide;cyclohexane is sourced from PubChem (CID 142973027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).