7-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one

C24H28ClN3O3 — CID 166338813

IUPAC7-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one
SMILESCC(C)(C)Cn1c(=O)[nH]c2c(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)cccc21
InChIInChI=1S/C24H28ClN3O3/c1-24(2,3)15-28-20-6-4-5-19(21(20)26-23(28)30)22(29)27-13-11-18(12-14-27)31-17-9-7-16(25)8-10-17/h4-10,18H,11-15H2,1-3H3,(H,26,30)
InChIKeyFZUPMCDBTMQWRD-UHFFFAOYSA-N
MW441.96 g/mol
LogP4.71
Rot. Bonds4

About 7-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one

7-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one (PubChem CID 166338813) has the molecular formula C24H28ClN3O3 and a molecular weight of 441.96 g/mol. Its IUPAC name is 7-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name7-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one
PubChem CID166338813
Molecular FormulaC24H28ClN3O3
Molecular Weight441.96 g/mol
Exact Mass441.18
IUPAC Name7-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one
SMILESCC(C)(C)Cn1c(=O)[nH]c2c(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)cccc21
InChIInChI=1S/C24H28ClN3O3/c1-24(2,3)15-28-20-6-4-5-19(21(20)26-23(28)30)22(29)27-13-11-18(12-14-27)31-17-9-7-16(25)8-10-17/h4-10,18H,11-15H2,1-3H3,(H,26,30)
InChIKeyFZUPMCDBTMQWRD-UHFFFAOYSA-N
XLogP4.71
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]sulfanylacetamide
CID 67169214
[4-(4-chlorophenoxy)piperidin-1-yl]-quinolin-5-ylmethanone
CID 67169614
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[4-(4-chlorophenoxy)piperidin-1-yl]-[2-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methanone
CID 67168317
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
3-(2,2-dimethylpropyl)-7-methyl-1H-benzimidazol-2-one
CID 117206757
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone
CID 166335688
(4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 67168484
5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 166281480
tert-butyl N-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-3-yl]carbamate
CID 166338901
N-[[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 67168820

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one?
The IUPAC name of 7-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one (CID 166338813) is 7-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 7-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one?
The canonical SMILES for 7-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one is CC(C)(C)Cn1c(=O)[nH]c2c(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)cccc21.
What is the InChIKey of 7-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one?
The InChIKey is FZUPMCDBTMQWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3/c1-24(2,3)15-28-20-6-4-5-19(21(20)26-23(28)30)22(29)27-13-11-18(12-14-27)31-17-9-7-16(25)8-10-17/h4-10,18H,11-15H2,1-3H3,(H,26,30).
What are the key properties of 7-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one?
7-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one has a molecular weight of 441.96 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 166338813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).