N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methoxypropanamide

C16H23N3O2 — CID 84591995

IUPACN-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C
InChIInChI=1S/C16H23N3O2/c1-16(2,3)15-18-12-10-11(6-7-13(12)19(15)4)17-14(20)8-9-21-5/h6-7,10H,8-9H2,1-5H3,(H,17,20)
InChIKeyVWYQDRXQYXTQGA-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.85
Rot. Bonds4

About N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methoxypropanamide

N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methoxypropanamide (PubChem CID 84591995) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methoxypropanamide.

Molecular Properties

Compound NameN-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methoxypropanamide
PubChem CID84591995
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C
InChIInChI=1S/C16H23N3O2/c1-16(2,3)15-18-12-10-11(6-7-13(12)19(15)4)17-14(20)8-9-21-5/h6-7,10H,8-9H2,1-5H3,(H,17,20)
InChIKeyVWYQDRXQYXTQGA-UHFFFAOYSA-N
XLogP2.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-1-methyl-6-oxopyridine-3-carboxamide
CID 75392662
N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 75392661
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
N-[2-[2-(3,4-difluorophenoxy)propan-2-yl]-1-methylbenzimidazol-5-yl]-2-(4-methoxyphenyl)acetamide
CID 118461721
3-(2,6-dioxo-1,3-diazinan-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide
CID 46974444
N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-1,1-dioxothiolane-3-carboxamide
CID 75434314
2-tert-butyl-1-methyl-N-pyrimidin-2-ylbenzimidazol-5-amine
CID 133406780
methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate
CID 110779217
N-[(2-tert-butyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine
CID 117338837
N-(3-bromo-4-methylphenyl)-3-methoxypropanamide
CID 55209257
tert-butyl N-[4-(3-methoxypropanoylamino)phenyl]carbamate
CID 58812989
N-(1,2-dimethylbenzimidazol-5-yl)-4-methylbenzamide
CID 711844

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methoxypropanamide?
The IUPAC name of N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methoxypropanamide (CID 84591995) is N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methoxypropanamide.
What is the SMILES notation for N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methoxypropanamide?
The canonical SMILES for N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methoxypropanamide is COCCC(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C.
What is the InChIKey of N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methoxypropanamide?
The InChIKey is VWYQDRXQYXTQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2,3)15-18-12-10-11(6-7-13(12)19(15)4)17-14(20)8-9-21-5/h6-7,10H,8-9H2,1-5H3,(H,17,20).
What are the key properties of N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methoxypropanamide?
N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methoxypropanamide has a molecular weight of 289.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methoxypropanamide is sourced from PubChem (CID 84591995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).