N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide

C16H23N3O — CID 47141201

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NC(c1nc2ccccc2[nH]1)C(C)C
InChIInChI=1S/C16H23N3O/c1-5-11(4)16(20)19-14(10(2)3)15-17-12-8-6-7-9-13(12)18-15/h6-11,14H,5H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyNZFZJCVUWVMOOK-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.42
Rot. Bonds5

About N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide (PubChem CID 47141201) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
PubChem CID47141201
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NC(c1nc2ccccc2[nH]1)C(C)C
InChIInChI=1S/C16H23N3O/c1-5-11(4)16(20)19-14(10(2)3)15-17-12-8-6-7-9-13(12)18-15/h6-11,14H,5H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyNZFZJCVUWVMOOK-UHFFFAOYSA-N
XLogP3.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 120503082
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
CID 47100277
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033
N-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 51091867
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride
CID 119854046
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 51205905
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(2-methoxyphenyl)acetamide
CID 8928025
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 51158115
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-bromobenzamide
CID 8927969
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide
CID 4779807
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
CID 3701693
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 9120351

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide (CID 47141201) is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide is CCC(C)C(=O)NC(c1nc2ccccc2[nH]1)C(C)C.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide?
The InChIKey is NZFZJCVUWVMOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-11(4)16(20)19-14(10(2)3)15-17-12-8-6-7-9-13(12)18-15/h6-11,14H,5H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide has a molecular weight of 273.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide is sourced from PubChem (CID 47141201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).