5-[5-[3-(2-methoxyphenyl)propylamino]pentanoyl]-1,3-dimethylbenzimidazol-2-one

C24H31N3O3 — CID 11575101

IUPAC5-[5-[3-(2-methoxyphenyl)propylamino]pentanoyl]-1,3-dimethylbenzimidazol-2-one
SMILESCOc1ccccc1CCCNCCCCC(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C24H31N3O3/c1-26-20-14-13-19(17-21(20)27(2)24(26)29)22(28)11-6-7-15-25-16-8-10-18-9-4-5-12-23(18)30-3/h4-5,9,12-14,17,25H,6-8,10-11,15-16H2,1-3H3
InChIKeyWBZJKVUWWYAYNU-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.46
Rot. Bonds11

About 5-[5-[3-(2-methoxyphenyl)propylamino]pentanoyl]-1,3-dimethylbenzimidazol-2-one

5-[5-[3-(2-methoxyphenyl)propylamino]pentanoyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 11575101) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 5-[5-[3-(2-methoxyphenyl)propylamino]pentanoyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[5-[3-(2-methoxyphenyl)propylamino]pentanoyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID11575101
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name5-[5-[3-(2-methoxyphenyl)propylamino]pentanoyl]-1,3-dimethylbenzimidazol-2-one
SMILESCOc1ccccc1CCCNCCCCC(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C24H31N3O3/c1-26-20-14-13-19(17-21(20)27(2)24(26)29)22(28)11-6-7-15-25-16-8-10-18-9-4-5-12-23(18)30-3/h4-5,9,12-14,17,25H,6-8,10-11,15-16H2,1-3H3
InChIKeyWBZJKVUWWYAYNU-UHFFFAOYSA-N
XLogP3.46
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-oxopentyl]-[3-(2-methoxyphenyl)propyl]carbamic acid
CID 69220606
7-[5-[2-(2-methoxyphenyl)ethylamino]pentanoyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;hydrochloride
CID 139974709
1,3-dimethyl-5-octanoylbenzimidazol-2-one
CID 62298843
6-[5-[2-(2-methoxyphenyl)ethyl-methylamino]pentanoyl]-3-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 10216728
5-[5-[3-(2-methoxyphenyl)propylamino]pentanoyl]-N,N-dimethyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
CID 174474749
[5-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-oxopentyl] N-tert-butyl-N-(2-phenylethyl)carbamate
CID 90699319
3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide
CID 99995361
5-[5-[2-(2-chlorophenyl)ethyl-methylamino]hexanoyl]-1,3-dimethylbenzimidazol-2-one
CID 11683356
1-[4-methoxy-3-(methylsulfanylamino)phenyl]-5-(2-phenylethylamino)pentan-1-one
CID 142261072
5-[1-hydroxy-2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenoxy]ethyl]-1,3-dimethylbenzimidazol-2-one
CID 17207444
1-(1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-6-[(2-methoxyphenyl)methylamino]hexan-1-one
CID 141069011
methyl 9-[3-(2-methoxyphenyl)propyl]carbazole-2-carboxylate
CID 70955551

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-(2-methoxyphenyl)propylamino]pentanoyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[5-[3-(2-methoxyphenyl)propylamino]pentanoyl]-1,3-dimethylbenzimidazol-2-one (CID 11575101) is 5-[5-[3-(2-methoxyphenyl)propylamino]pentanoyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[5-[3-(2-methoxyphenyl)propylamino]pentanoyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[5-[3-(2-methoxyphenyl)propylamino]pentanoyl]-1,3-dimethylbenzimidazol-2-one is COc1ccccc1CCCNCCCCC(=O)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 5-[5-[3-(2-methoxyphenyl)propylamino]pentanoyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is WBZJKVUWWYAYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-26-20-14-13-19(17-21(20)27(2)24(26)29)22(28)11-6-7-15-25-16-8-10-18-9-4-5-12-23(18)30-3/h4-5,9,12-14,17,25H,6-8,10-11,15-16H2,1-3H3.
What are the key properties of 5-[5-[3-(2-methoxyphenyl)propylamino]pentanoyl]-1,3-dimethylbenzimidazol-2-one?
5-[5-[3-(2-methoxyphenyl)propylamino]pentanoyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 409.53 g/mol, XLogP of 3.46, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-(2-methoxyphenyl)propylamino]pentanoyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 11575101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).