3-[1-[1-(2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one

C25H30N4O2 — CID 10093490

IUPAC3-[1-[1-(2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1ccccc1C(=O)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1
InChIInChI=1S/C25H30N4O2/c1-18-6-2-3-7-21(18)24(30)28-16-10-19(11-17-28)27-14-12-20(13-15-27)29-23-9-5-4-8-22(23)26-25(29)31/h2-9,19-20H,10-17H2,1H3,(H,26,31)
InChIKeyNRZIRCFWEUKUBP-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.58
Rot. Bonds3

About 3-[1-[1-(2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[1-(2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 10093490) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 3-[1-[1-(2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[1-(2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID10093490
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name3-[1-[1-(2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1ccccc1C(=O)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1
InChIInChI=1S/C25H30N4O2/c1-18-6-2-3-7-21(18)24(30)28-16-10-19(11-17-28)27-14-12-20(13-15-27)29-23-9-5-4-8-22(23)26-25(29)31/h2-9,19-20H,10-17H2,1H3,(H,26,31)
InChIKeyNRZIRCFWEUKUBP-UHFFFAOYSA-N
XLogP3.58
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3168
Benperidol
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Tbpb
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4-Chloro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 21428850
3,4-Difluoro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 25105698
3,5-Dichloro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 25105700
4-Methyl-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
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N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-4-vinylbenzamide
CID 25105702
N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-2-naphthamide
CID 25105704
9-Oxo-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-9H-fluorene-4-carboxamide
CID 25105705
(1R,2R)-N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-2-phenylcyclopropanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[1-(2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 10093490) is 3-[1-[1-(2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[1-(2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[1-(2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one is Cc1ccccc1C(=O)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1.
What is the InChIKey of 3-[1-[1-(2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is NRZIRCFWEUKUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-18-6-2-3-7-21(18)24(30)28-16-10-19(11-17-28)27-14-12-20(13-15-27)29-23-9-5-4-8-22(23)26-25(29)31/h2-9,19-20H,10-17H2,1H3,(H,26,31).
What are the key properties of 3-[1-[1-(2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[1-(2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 418.54 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 10093490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).