1-(3-methoxyphenyl)-3-[2-[5-(piperidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea

C23H27N5O3 — CID 20974932

IUPAC1-(3-methoxyphenyl)-3-[2-[5-(piperidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea
SMILESCOc1cccc(NC(=O)NCCn2cnc3cc(C(=O)N4CCCCC4)ccc32)c1
InChIInChI=1S/C23H27N5O3/c1-31-19-7-5-6-18(15-19)26-23(30)24-10-13-28-16-25-20-14-17(8-9-21(20)28)22(29)27-11-3-2-4-12-27/h5-9,14-16H,2-4,10-13H2,1H3,(H2,24,26,30)
InChIKeyHDBHCGPCEHWUMA-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.49
Rot. Bonds6

About 1-(3-methoxyphenyl)-3-[2-[5-(piperidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea

1-(3-methoxyphenyl)-3-[2-[5-(piperidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea (PubChem CID 20974932) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[2-[5-(piperidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[2-[5-(piperidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea
PubChem CID20974932
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name1-(3-methoxyphenyl)-3-[2-[5-(piperidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea
SMILESCOc1cccc(NC(=O)NCCn2cnc3cc(C(=O)N4CCCCC4)ccc32)c1
InChIInChI=1S/C23H27N5O3/c1-31-19-7-5-6-18(15-19)26-23(30)24-10-13-28-16-25-20-14-17(8-9-21(20)28)22(29)27-11-3-2-4-12-27/h5-9,14-16H,2-4,10-13H2,1H3,(H2,24,26,30)
InChIKeyHDBHCGPCEHWUMA-UHFFFAOYSA-N
XLogP3.49
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromophenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea
CID 50833018
1-(4-fluorophenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea
CID 20974888
1-(4-chlorophenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea
CID 20974867
1-(2-ethylphenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea
CID 20974914
1-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 20974870
1-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-N-propan-2-ylbenzimidazole-5-carboxamide
CID 20974974
2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 51145616
N-(3-methoxyphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102944
N-(3-methoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085005
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
3-[[3-(piperidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid
CID 122077035
1-(3-methoxyphenyl)-3-[2-(piperidine-1-carbonyl)phenyl]urea
CID 99129473

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[2-[5-(piperidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[2-[5-(piperidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea (CID 20974932) is 1-(3-methoxyphenyl)-3-[2-[5-(piperidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[2-[5-(piperidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[2-[5-(piperidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea is COc1cccc(NC(=O)NCCn2cnc3cc(C(=O)N4CCCCC4)ccc32)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[2-[5-(piperidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea?
The InChIKey is HDBHCGPCEHWUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-31-19-7-5-6-18(15-19)26-23(30)24-10-13-28-16-25-20-14-17(8-9-21(20)28)22(29)27-11-3-2-4-12-27/h5-9,14-16H,2-4,10-13H2,1H3,(H2,24,26,30).
What are the key properties of 1-(3-methoxyphenyl)-3-[2-[5-(piperidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea?
1-(3-methoxyphenyl)-3-[2-[5-(piperidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea has a molecular weight of 421.50 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[2-[5-(piperidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea is sourced from PubChem (CID 20974932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).