5-[2-oxo-2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]-1,3-dihydrobenzimidazol-2-one

C20H29N5O2 — CID 167895937

IUPAC5-[2-oxo-2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=C(Cc1ccc2[nH]c(=O)[nH]c2c1)N1CCC(CCN2CCNCC2)CC1
InChIInChI=1S/C20H29N5O2/c26-19(14-16-1-2-17-18(13-16)23-20(27)22-17)25-9-4-15(5-10-25)3-8-24-11-6-21-7-12-24/h1-2,13,15,21H,3-12,14H2,(H2,22,23,27)
InChIKeyNTUBUZWZZCFPAP-UHFFFAOYSA-N
MW371.49 g/mol
LogP0.93
Rot. Bonds5

About 5-[2-oxo-2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]-1,3-dihydrobenzimidazol-2-one

5-[2-oxo-2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 167895937) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 5-[2-oxo-2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-oxo-2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID167895937
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name5-[2-oxo-2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=C(Cc1ccc2[nH]c(=O)[nH]c2c1)N1CCC(CCN2CCNCC2)CC1
InChIInChI=1S/C20H29N5O2/c26-19(14-16-1-2-17-18(13-16)23-20(27)22-17)25-9-4-15(5-10-25)3-8-24-11-6-21-7-12-24/h1-2,13,15,21H,3-12,14H2,(H2,22,23,27)
InChIKeyNTUBUZWZZCFPAP-UHFFFAOYSA-N
XLogP0.93
TPSA84.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[2-oxo-2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]-1,3-dihydrobenzimidazol-2-one with MolForge

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Related Compounds

5-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one
CID 110802098
5-[2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one
CID 138035514
N-tert-butyl-4-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813939
5-(3-piperazin-1-ylpropanoyl)-1,3-dihydrobenzimidazol-2-one
CID 96680051
5-[(piperazin-1-ylmethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115230015
1-[4-(hydroxymethyl)piperidin-1-yl]-2-(1H-indol-6-yl)ethanone
CID 112531741
5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 110772125
5-[(1-methylpiperazin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116928064
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692348
5-(2-piperazin-1-ylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 82500602
5-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110416988
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 46481378

Frequently Asked Questions

What is the IUPAC name of 5-[2-oxo-2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-oxo-2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]-1,3-dihydrobenzimidazol-2-one (CID 167895937) is 5-[2-oxo-2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-oxo-2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-oxo-2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]-1,3-dihydrobenzimidazol-2-one is O=C(Cc1ccc2[nH]c(=O)[nH]c2c1)N1CCC(CCN2CCNCC2)CC1.
What is the InChIKey of 5-[2-oxo-2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is NTUBUZWZZCFPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c26-19(14-16-1-2-17-18(13-16)23-20(27)22-17)25-9-4-15(5-10-25)3-8-24-11-6-21-7-12-24/h1-2,13,15,21H,3-12,14H2,(H2,22,23,27).
What are the key properties of 5-[2-oxo-2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[2-oxo-2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 371.49 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-oxo-2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 167895937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).