2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone

C14H19N3O — CID 82497951

IUPAC2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone
SMILESCNCC(=O)c1ccc2c(c1)nc(C(C)C)n2C
InChIInChI=1S/C14H19N3O/c1-9(2)14-16-11-7-10(13(18)8-15-3)5-6-12(11)17(14)4/h5-7,9,15H,8H2,1-4H3
InChIKeyRRWVYSFAMSLOFP-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.10
Rot. Bonds4

About 2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone

2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone (PubChem CID 82497951) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone
PubChem CID82497951
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone
SMILESCNCC(=O)c1ccc2c(c1)nc(C(C)C)n2C
InChIInChI=1S/C14H19N3O/c1-9(2)14-16-11-7-10(13(18)8-15-3)5-6-12(11)17(14)4/h5-7,9,15H,8H2,1-4H3
InChIKeyRRWVYSFAMSLOFP-UHFFFAOYSA-N
XLogP2.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propan-1-one
CID 96677452
2-(cyclopropylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone
CID 96679214
N-(4-acetylphenyl)-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide
CID 110765986
(4-methylpiperazin-1-yl)-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanone
CID 110765962
N-cyclopentyl-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide
CID 110765952
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid
CID 82142022
2-(5-propanoyl-2-propan-2-ylbenzimidazol-1-yl)acetic acid
CID 94743145
1-[4-(1-methyl-2-propan-2-ylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110805835
1-(2-methylpropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322894
1-butyl-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322844
3-methyl-6-[2-(methylamino)acetyl]-1,3-benzoxazol-2-one
CID 13038876
1-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]ethanone
CID 94743219

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone?
The IUPAC name of 2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone (CID 82497951) is 2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone.
What is the SMILES notation for 2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone?
The canonical SMILES for 2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone is CNCC(=O)c1ccc2c(c1)nc(C(C)C)n2C.
What is the InChIKey of 2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone?
The InChIKey is RRWVYSFAMSLOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9(2)14-16-11-7-10(13(18)8-15-3)5-6-12(11)17(14)4/h5-7,9,15H,8H2,1-4H3.
What are the key properties of 2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone?
2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone has a molecular weight of 245.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone is sourced from PubChem (CID 82497951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).