6-methyl-5-[3-[4-[(2-methylbenzimidazol-1-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione

C22H29N5O3 — CID 75120465

IUPAC6-methyl-5-[3-[4-[(2-methylbenzimidazol-1-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione
SMILESCc1nc2ccccc2n1CC1CCN(C(=O)CCC2C(=O)NC(=O)NC2C)CC1
InChIInChI=1S/C22H29N5O3/c1-14-17(21(29)25-22(30)23-14)7-8-20(28)26-11-9-16(10-12-26)13-27-15(2)24-18-5-3-4-6-19(18)27/h3-6,14,16-17H,7-13H2,1-2H3,(H2,23,25,29,30)
InChIKeyCLHMYXLQXDRPSJ-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.21
Rot. Bonds5

About 6-methyl-5-[3-[4-[(2-methylbenzimidazol-1-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione

6-methyl-5-[3-[4-[(2-methylbenzimidazol-1-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione (PubChem CID 75120465) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 6-methyl-5-[3-[4-[(2-methylbenzimidazol-1-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-[3-[4-[(2-methylbenzimidazol-1-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione
PubChem CID75120465
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name6-methyl-5-[3-[4-[(2-methylbenzimidazol-1-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione
SMILESCc1nc2ccccc2n1CC1CCN(C(=O)CCC2C(=O)NC(=O)NC2C)CC1
InChIInChI=1S/C22H29N5O3/c1-14-17(21(29)25-22(30)23-14)7-8-20(28)26-11-9-16(10-12-26)13-27-15(2)24-18-5-3-4-6-19(18)27/h3-6,14,16-17H,7-13H2,1-2H3,(H2,23,25,29,30)
InChIKeyCLHMYXLQXDRPSJ-UHFFFAOYSA-N
XLogP2.21
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone;dihydrochloride
CID 119518883
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CID 17000581
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CID 19711184
2-hydroxy-5-[[4-[(Z)-3-[4-[(2-methylbenzimidazol-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylprop-1-enyl]phenyl]diazenyl]benzoic acid
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1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[3-[4-[(2-methylbenzimidazol-1-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 6-methyl-5-[3-[4-[(2-methylbenzimidazol-1-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione (CID 75120465) is 6-methyl-5-[3-[4-[(2-methylbenzimidazol-1-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-methyl-5-[3-[4-[(2-methylbenzimidazol-1-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-methyl-5-[3-[4-[(2-methylbenzimidazol-1-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione is Cc1nc2ccccc2n1CC1CCN(C(=O)CCC2C(=O)NC(=O)NC2C)CC1.
What is the InChIKey of 6-methyl-5-[3-[4-[(2-methylbenzimidazol-1-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione?
The InChIKey is CLHMYXLQXDRPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-14-17(21(29)25-22(30)23-14)7-8-20(28)26-11-9-16(10-12-26)13-27-15(2)24-18-5-3-4-6-19(18)27/h3-6,14,16-17H,7-13H2,1-2H3,(H2,23,25,29,30).
What are the key properties of 6-methyl-5-[3-[4-[(2-methylbenzimidazol-1-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione?
6-methyl-5-[3-[4-[(2-methylbenzimidazol-1-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione has a molecular weight of 411.51 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[3-[4-[(2-methylbenzimidazol-1-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 75120465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).