(4-methylpiperazin-1-yl)-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanone

C17H24N4O — CID 110765962

IUPAC(4-methylpiperazin-1-yl)-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanone
SMILESCC(C)c1nc2cc(C(=O)N3CCN(C)CC3)ccc2n1C
InChIInChI=1S/C17H24N4O/c1-12(2)16-18-14-11-13(5-6-15(14)20(16)4)17(22)21-9-7-19(3)8-10-21/h5-6,11-12H,7-10H2,1-4H3
InChIKeyDHGQRBPJDDTCFP-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.08
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanone

(4-methylpiperazin-1-yl)-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanone (PubChem CID 110765962) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanone
PubChem CID110765962
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name(4-methylpiperazin-1-yl)-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanone
SMILESCC(C)c1nc2cc(C(=O)N3CCN(C)CC3)ccc2n1C
InChIInChI=1S/C17H24N4O/c1-12(2)16-18-14-11-13(5-6-15(14)20(16)4)17(22)21-9-7-19(3)8-10-21/h5-6,11-12H,7-10H2,1-4H3
InChIKeyDHGQRBPJDDTCFP-UHFFFAOYSA-N
XLogP2.08
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-methyl-2-propan-2-ylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110805835
azetidin-1-yl-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]methanone
CID 166179148
2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone
CID 82497951
[4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 110802064
[4-[2-(difluoromethyl)-1-methylbenzimidazole-5-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 136540005
N-cyclopentyl-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide
CID 110765952
[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 136581636
N-(4-acetylphenyl)-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide
CID 110765986
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
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110773304
(4-methoxy-3-propan-2-ylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 58015998

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanone (CID 110765962) is (4-methylpiperazin-1-yl)-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanone is CC(C)c1nc2cc(C(=O)N3CCN(C)CC3)ccc2n1C.
What is the InChIKey of (4-methylpiperazin-1-yl)-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanone?
The InChIKey is DHGQRBPJDDTCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12(2)16-18-14-11-13(5-6-15(14)20(16)4)17(22)21-9-7-19(3)8-10-21/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of (4-methylpiperazin-1-yl)-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanone?
(4-methylpiperazin-1-yl)-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanone has a molecular weight of 300.41 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanone is sourced from PubChem (CID 110765962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).