3-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propan-1-one

C15H21N3O — CID 96677452

IUPAC3-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propan-1-one
SMILESCNCCC(=O)c1ccc2c(c1)nc(C(C)C)n2C
InChIInChI=1S/C15H21N3O/c1-10(2)15-17-12-9-11(14(19)7-8-16-3)5-6-13(12)18(15)4/h5-6,9-10,16H,7-8H2,1-4H3
InChIKeyDITNSGUTLNWAAO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.49
Rot. Bonds5

About 3-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propan-1-one

3-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propan-1-one (PubChem CID 96677452) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propan-1-one
PubChem CID96677452
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propan-1-one
SMILESCNCCC(=O)c1ccc2c(c1)nc(C(C)C)n2C
InChIInChI=1S/C15H21N3O/c1-10(2)15-17-12-9-11(14(19)7-8-16-3)5-6-13(12)18(15)4/h5-6,9-10,16H,7-8H2,1-4H3
InChIKeyDITNSGUTLNWAAO-UHFFFAOYSA-N
XLogP2.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone
CID 82497951
2-(cyclopropylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone
CID 96679214
N-cyclopentyl-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide
CID 110765952
N-(4-acetylphenyl)-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide
CID 110765986
1,3-dimethyl-5-[3-(methylamino)propanoyl]benzimidazol-2-one
CID 82498508
(4-methylpiperazin-1-yl)-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanone
CID 110765962
1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-3-(methylamino)propan-1-one
CID 96677057
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid
CID 82142022
1-[4-(1-methyl-2-propan-2-ylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110805835
2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone
CID 39104493
2-(5-propanoyl-2-propan-2-ylbenzimidazol-1-yl)acetic acid
CID 94743145
N-methyl-4-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)oxypyridine-2-carboxamide;molecular hydrogen
CID 164540019

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propan-1-one?
The IUPAC name of 3-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propan-1-one (CID 96677452) is 3-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propan-1-one.
What is the SMILES notation for 3-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propan-1-one?
The canonical SMILES for 3-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propan-1-one is CNCCC(=O)c1ccc2c(c1)nc(C(C)C)n2C.
What is the InChIKey of 3-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propan-1-one?
The InChIKey is DITNSGUTLNWAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10(2)15-17-12-9-11(14(19)7-8-16-3)5-6-13(12)18(15)4/h5-6,9-10,16H,7-8H2,1-4H3.
What are the key properties of 3-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propan-1-one?
3-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propan-1-one has a molecular weight of 259.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propan-1-one is sourced from PubChem (CID 96677452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).