1-(6-methyl-1H-benzimidazol-2-yl)propan-1-one;propane

C14H20N2O — CID 168980349

IUPAC1-(6-methyl-1H-benzimidazol-2-yl)propan-1-one;propane
SMILESCCC.CCC(=O)c1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C11H12N2O.C3H8/c1-3-10(14)11-12-8-5-4-7(2)6-9(8)13-11;1-3-2/h4-6H,3H2,1-2H3,(H,12,13);3H2,1-2H3
InChIKeyJWWYBMHBGOKAPH-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.88
Rot. Bonds2

About 1-(6-methyl-1H-benzimidazol-2-yl)propan-1-one;propane

1-(6-methyl-1H-benzimidazol-2-yl)propan-1-one;propane (PubChem CID 168980349) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(6-methyl-1H-benzimidazol-2-yl)propan-1-one;propane.

Molecular Properties

Compound Name1-(6-methyl-1H-benzimidazol-2-yl)propan-1-one;propane
PubChem CID168980349
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(6-methyl-1H-benzimidazol-2-yl)propan-1-one;propane
SMILESCCC.CCC(=O)c1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C11H12N2O.C3H8/c1-3-10(14)11-12-8-5-4-7(2)6-9(8)13-11;1-3-2/h4-6H,3H2,1-2H3,(H,12,13);3H2,1-2H3
InChIKeyJWWYBMHBGOKAPH-UHFFFAOYSA-N
XLogP3.88
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-methyl-1H-benzimidazol-2-yl)-phenylmethanone
CID 57126569
ethane;2-[(6-methyl-1H-benzimidazole-2-carbonyl)amino]acetic acid
CID 143887823
ethyl 6-methyl-3-oxo-4H-quinoxaline-2-carboxylate;ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate
CID 123754273
6-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1H-benzimidazole-2-carboxamide
CID 95554120
2-methyl-2-(6-methyl-1H-benzimidazol-2-yl)propanoic acid
CID 83857711
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-one
CID 15133696
ethyl 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)butanoate
CID 79474874
ethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate
CID 82562533
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one
CID 39104518
1,7-bis(6-hydroxy-1H-benzimidazol-2-yl)heptane-1,4,7-trione
CID 19907647
1-(6-methyl-1H-benzimidazol-2-yl)ethylphosphonic acid
CID 23453418

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1H-benzimidazol-2-yl)propan-1-one;propane?
The IUPAC name of 1-(6-methyl-1H-benzimidazol-2-yl)propan-1-one;propane (CID 168980349) is 1-(6-methyl-1H-benzimidazol-2-yl)propan-1-one;propane.
What is the SMILES notation for 1-(6-methyl-1H-benzimidazol-2-yl)propan-1-one;propane?
The canonical SMILES for 1-(6-methyl-1H-benzimidazol-2-yl)propan-1-one;propane is CCC.CCC(=O)c1nc2ccc(C)cc2[nH]1.
What is the InChIKey of 1-(6-methyl-1H-benzimidazol-2-yl)propan-1-one;propane?
The InChIKey is JWWYBMHBGOKAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.C3H8/c1-3-10(14)11-12-8-5-4-7(2)6-9(8)13-11;1-3-2/h4-6H,3H2,1-2H3,(H,12,13);3H2,1-2H3.
What are the key properties of 1-(6-methyl-1H-benzimidazol-2-yl)propan-1-one;propane?
1-(6-methyl-1H-benzimidazol-2-yl)propan-1-one;propane has a molecular weight of 232.33 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1H-benzimidazol-2-yl)propan-1-one;propane is sourced from PubChem (CID 168980349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).