1-(2-ethylphenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea

C23H27N5O2 — CID 20974914

IUPAC1-(2-ethylphenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea
SMILESCCc1ccccc1NC(=O)NCCn1cnc2cc(C(=O)N3CCCC3)ccc21
InChIInChI=1S/C23H27N5O2/c1-2-17-7-3-4-8-19(17)26-23(30)24-11-14-28-16-25-20-15-18(9-10-21(20)28)22(29)27-12-5-6-13-27/h3-4,7-10,15-16H,2,5-6,11-14H2,1H3,(H2,24,26,30)
InChIKeyPEKNXUPGMYRWFB-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.66
Rot. Bonds6

About 1-(2-ethylphenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea

1-(2-ethylphenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea (PubChem CID 20974914) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea
PubChem CID20974914
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name1-(2-ethylphenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea
SMILESCCc1ccccc1NC(=O)NCCn1cnc2cc(C(=O)N3CCCC3)ccc21
InChIInChI=1S/C23H27N5O2/c1-2-17-7-3-4-8-19(17)26-23(30)24-11-14-28-16-25-20-15-18(9-10-21(20)28)22(29)27-12-5-6-13-27/h3-4,7-10,15-16H,2,5-6,11-14H2,1H3,(H2,24,26,30)
InChIKeyPEKNXUPGMYRWFB-UHFFFAOYSA-N
XLogP3.66
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 20974870
methyl 2-[2-[5-(piperidine-1-carbonyl)benzimidazol-1-yl]ethylcarbamoylamino]benzoate
CID 20974931
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-(3-bromophenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea
CID 50833018
1-(3-methoxyphenyl)-3-[2-[5-(piperidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea
CID 20974932
1-(2-ethylphenyl)-3-[2-[5-(propan-2-ylsulfamoyl)benzimidazol-1-yl]ethyl]urea
CID 50846879
1-[2-[5-(piperidine-1-carbonyl)benzotriazol-1-yl]ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 53085163
N-(3-chloro-2-methylphenyl)-1-[2-(propan-2-ylcarbamoylamino)ethyl]benzimidazole-5-carboxamide
CID 50849196
N-(2-ethylphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide
CID 20932851
1-[2-[(4-bromophenyl)carbamoylamino]ethyl]-N,N-diethylbenzimidazole-5-carboxamide
CID 20974969
N-[(2-methylphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
CID 53041061

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea?
The IUPAC name of 1-(2-ethylphenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea (CID 20974914) is 1-(2-ethylphenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea?
The canonical SMILES for 1-(2-ethylphenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea is CCc1ccccc1NC(=O)NCCn1cnc2cc(C(=O)N3CCCC3)ccc21.
What is the InChIKey of 1-(2-ethylphenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea?
The InChIKey is PEKNXUPGMYRWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-2-17-7-3-4-8-19(17)26-23(30)24-11-14-28-16-25-20-15-18(9-10-21(20)28)22(29)27-12-5-6-13-27/h3-4,7-10,15-16H,2,5-6,11-14H2,1H3,(H2,24,26,30).
What are the key properties of 1-(2-ethylphenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea?
1-(2-ethylphenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea has a molecular weight of 405.50 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea is sourced from PubChem (CID 20974914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).