N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide

C13H17N3O — CID 751074

IUPACN-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
SMILESCC(=O)NCc1nc2ccccc2n1C(C)C
InChIInChI=1S/C13H17N3O/c1-9(2)16-12-7-5-4-6-11(12)15-13(16)8-14-10(3)17/h4-7,9H,8H2,1-3H3,(H,14,17)
InChIKeySEZGUXBRYGQGQC-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.25
Rot. Bonds3

About N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide

N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide (PubChem CID 751074) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
PubChem CID751074
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
SMILESCC(=O)NCc1nc2ccccc2n1C(C)C
InChIInChI=1S/C13H17N3O/c1-9(2)16-12-7-5-4-6-11(12)15-13(16)8-14-10(3)17/h4-7,9H,8H2,1-3H3,(H,14,17)
InChIKeySEZGUXBRYGQGQC-UHFFFAOYSA-N
XLogP2.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide
CID 3995612
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
CID 60835044
N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972351
2,6-dimethyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrimidine-4-carboxamide
CID 131901796
2-(4-hydroxypiperidin-1-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 77094843
3-(hydroxymethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 131946837
2-[(1-propan-2-ylbenzimidazol-2-yl)methoxy]acetic acid
CID 61329129
4-(aminomethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]oxane-4-carboxamide
CID 120942051
(2S)-2-phenyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide
CID 71829715
N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide
CID 17005899
2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-ethylacetamide
CID 17028901
N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972212

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide?
The IUPAC name of N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide (CID 751074) is N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide is CC(=O)NCc1nc2ccccc2n1C(C)C.
What is the InChIKey of N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide?
The InChIKey is SEZGUXBRYGQGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(2)16-12-7-5-4-6-11(12)15-13(16)8-14-10(3)17/h4-7,9H,8H2,1-3H3,(H,14,17).
What are the key properties of N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide?
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide has a molecular weight of 231.30 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 751074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).