N-(3H-benzimidazol-5-yl)-N,3,3-trimethylbutanamide

C14H19N3O — CID 110869221

IUPACN-(3H-benzimidazol-5-yl)-N,3,3-trimethylbutanamide
SMILESCN(C(=O)CC(C)(C)C)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H19N3O/c1-14(2,3)8-13(18)17(4)10-5-6-11-12(7-10)16-9-15-11/h5-7,9H,8H2,1-4H3,(H,15,16)
InChIKeyBBOARDPESFWASP-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.96
Rot. Bonds2

About N-(3H-benzimidazol-5-yl)-N,3,3-trimethylbutanamide

N-(3H-benzimidazol-5-yl)-N,3,3-trimethylbutanamide (PubChem CID 110869221) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-N,3,3-trimethylbutanamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-N,3,3-trimethylbutanamide
PubChem CID110869221
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-(3H-benzimidazol-5-yl)-N,3,3-trimethylbutanamide
SMILESCN(C(=O)CC(C)(C)C)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H19N3O/c1-14(2,3)8-13(18)17(4)10-5-6-11-12(7-10)16-9-15-11/h5-7,9H,8H2,1-4H3,(H,15,16)
InChIKeyBBOARDPESFWASP-UHFFFAOYSA-N
XLogP2.96
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3H-benzimidazol-5-yl)-N-methylacetamide
CID 110869162
2-[3H-benzimidazol-5-yl(methyl)amino]-2-oxoacetic acid
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N-(3H-benzimidazol-5-yl)-N-methyl-2-(4-methylphenoxy)acetamide
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N-(3H-benzimidazol-5-yl)-N-methylazetidine-3-carboxamide
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N-(3H-benzimidazol-5-yl)-N-methylcyclobutanecarboxamide
CID 110869220
3-amino-N-(3H-benzimidazol-5-yl)-N-methylbenzamide
CID 115160757
N-(3H-benzimidazol-5-yl)-N-methylpyrrolidine-3-carboxamide
CID 115159458
2-[3H-benzimidazol-5-yl(methyl)amino]ethanol
CID 115216158
N-[2-(3H-benzimidazol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 110791381
3-(3H-benzimidazol-5-yl)-N,N-dimethylbenzamide
CID 175533007
2-[3H-benzimidazole-5-carbonyl(tert-butyl)amino]acetic acid
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N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 43420531

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-N,3,3-trimethylbutanamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-N,3,3-trimethylbutanamide (CID 110869221) is N-(3H-benzimidazol-5-yl)-N,3,3-trimethylbutanamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-N,3,3-trimethylbutanamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-N,3,3-trimethylbutanamide is CN(C(=O)CC(C)(C)C)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-N,3,3-trimethylbutanamide?
The InChIKey is BBOARDPESFWASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2,3)8-13(18)17(4)10-5-6-11-12(7-10)16-9-15-11/h5-7,9H,8H2,1-4H3,(H,15,16).
What are the key properties of N-(3H-benzimidazol-5-yl)-N,3,3-trimethylbutanamide?
N-(3H-benzimidazol-5-yl)-N,3,3-trimethylbutanamide has a molecular weight of 245.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-N,3,3-trimethylbutanamide is sourced from PubChem (CID 110869221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).