cyclopropyl-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperazin-2-yl]methanone

C20H28N4O — CID 172733388

IUPACcyclopropyl-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperazin-2-yl]methanone
SMILESCC(C)Cn1c(CN2CCNCC2C(=O)C2CC2)nc2ccccc21
InChIInChI=1S/C20H28N4O/c1-14(2)12-24-17-6-4-3-5-16(17)22-19(24)13-23-10-9-21-11-18(23)20(25)15-7-8-15/h3-6,14-15,18,21H,7-13H2,1-2H3
InChIKeyICEJNIFZYNSHRN-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.45
Rot. Bonds6

About cyclopropyl-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperazin-2-yl]methanone

cyclopropyl-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperazin-2-yl]methanone (PubChem CID 172733388) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is cyclopropyl-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperazin-2-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperazin-2-yl]methanone
PubChem CID172733388
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Namecyclopropyl-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperazin-2-yl]methanone
SMILESCC(C)Cn1c(CN2CCNCC2C(=O)C2CC2)nc2ccccc21
InChIInChI=1S/C20H28N4O/c1-14(2)12-24-17-6-4-3-5-16(17)22-19(24)13-23-10-9-21-11-18(23)20(25)15-7-8-15/h3-6,14-15,18,21H,7-13H2,1-2H3
InChIKeyICEJNIFZYNSHRN-UHFFFAOYSA-N
XLogP2.45
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone
CID 69192210
2-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzotriazole
CID 5272036
(3aS,6aS)-5-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 50972644
4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide
CID 77096772
methyl (2S,4R)-4-hydroxy-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]piperidine-2-carboxylate
CID 133120167
N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide
CID 3995612
(3S)-1-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]piperidin-3-ol
CID 95135172
1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole
CID 62318122
[1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride
CID 163331235
4-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]piperazine-2-carboxylic acid
CID 56877047
1-(2-ethylbenzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol
CID 65449453
2-chloro-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007409

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperazin-2-yl]methanone?
The IUPAC name of cyclopropyl-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperazin-2-yl]methanone (CID 172733388) is cyclopropyl-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperazin-2-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperazin-2-yl]methanone?
The canonical SMILES for cyclopropyl-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperazin-2-yl]methanone is CC(C)Cn1c(CN2CCNCC2C(=O)C2CC2)nc2ccccc21.
What is the InChIKey of cyclopropyl-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperazin-2-yl]methanone?
The InChIKey is ICEJNIFZYNSHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14(2)12-24-17-6-4-3-5-16(17)22-19(24)13-23-10-9-21-11-18(23)20(25)15-7-8-15/h3-6,14-15,18,21H,7-13H2,1-2H3.
What are the key properties of cyclopropyl-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperazin-2-yl]methanone?
cyclopropyl-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperazin-2-yl]methanone has a molecular weight of 340.47 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperazin-2-yl]methanone is sourced from PubChem (CID 172733388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).