3-[1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one

C23H26ClN3O4 — CID 55432764

IUPAC3-[1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCCOc1c(Cl)cc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1OC
InChIInChI=1S/C23H26ClN3O4/c1-3-12-31-21-17(24)13-15(14-20(21)30-2)22(28)26-10-8-16(9-11-26)27-19-7-5-4-6-18(19)25-23(27)29/h4-7,13-14,16H,3,8-12H2,1-2H3,(H,25,29)
InChIKeyMOLFVONRLAABRE-UHFFFAOYSA-N
MW443.93 g/mol
LogP4.26
Rot. Bonds6

About 3-[1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 55432764) has the molecular formula C23H26ClN3O4 and a molecular weight of 443.93 g/mol. Its IUPAC name is 3-[1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID55432764
Molecular FormulaC23H26ClN3O4
Molecular Weight443.93 g/mol
Exact Mass443.16
IUPAC Name3-[1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCCOc1c(Cl)cc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1OC
InChIInChI=1S/C23H26ClN3O4/c1-3-12-31-21-17(24)13-15(14-20(21)30-2)22(28)26-10-8-16(9-11-26)27-19-7-5-4-6-18(19)25-23(27)29/h4-7,13-14,16H,3,8-12H2,1-2H3,(H,25,29)
InChIKeyMOLFVONRLAABRE-UHFFFAOYSA-N
XLogP4.26
TPSA76.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

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Related Compounds

3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 27184460
(3-chloro-5-methoxy-4-propoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120998089
[1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 60552365
3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431766
(4-aminopiperidin-1-yl)-(4-butoxy-3-chloro-5-methoxyphenyl)methanone;hydrochloride
CID 119376097
3-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 142654855
(3-chloro-5-ethoxy-4-propoxyphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 60559152
4-methoxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 55431976
(4-amino-3,3-dimethylpiperidin-1-yl)-(3-chloro-5-methoxy-4-propoxyphenyl)methanone;hydrochloride
CID 120815276
3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431925
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
[4-(3-aminopropoxy)piperidin-1-yl]-(4-butoxy-3-chloro-5-methoxyphenyl)methanone
CID 119664059

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 55432764) is 3-[1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one is CCCOc1c(Cl)cc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1OC.
What is the InChIKey of 3-[1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is MOLFVONRLAABRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4/c1-3-12-31-21-17(24)13-15(14-20(21)30-2)22(28)26-10-8-16(9-11-26)27-19-7-5-4-6-18(19)25-23(27)29/h4-7,13-14,16H,3,8-12H2,1-2H3,(H,25,29).
What are the key properties of 3-[1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 443.93 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 55432764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).