4-(aminomethyl)-N,N-dimethylaniline;1-[[4-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea

C26H33N7O2 — CID 67460141

IUPAC4-(aminomethyl)-N,N-dimethylaniline;1-[[4-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea
SMILESCN(C)c1ccc(CN)cc1.CN(C)c1ccc(CNC(=O)Nc2cccc3[nH]c(=O)[nH]c23)cc1
InChIInChI=1S/C17H19N5O2.C9H14N2/c1-22(2)12-8-6-11(7-9-12)10-18-16(23)19-13-4-3-5-14-15(13)21-17(24)20-14;1-11(2)9-5-3-8(7-10)4-6-9/h3-9H,10H2,1-2H3,(H2,18,19,23)(H2,20,21,24);3-6H,7,10H2,1-2H3
InChIKeyWZNHKKAIBCADTA-UHFFFAOYSA-N
MW475.60 g/mol
LogP3.46
Rot. Bonds6

About 4-(aminomethyl)-N,N-dimethylaniline;1-[[4-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea

4-(aminomethyl)-N,N-dimethylaniline;1-[[4-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea (PubChem CID 67460141) has the molecular formula C26H33N7O2 and a molecular weight of 475.60 g/mol. Its IUPAC name is 4-(aminomethyl)-N,N-dimethylaniline;1-[[4-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea.

Molecular Properties

Compound Name4-(aminomethyl)-N,N-dimethylaniline;1-[[4-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea
PubChem CID67460141
Molecular FormulaC26H33N7O2
Molecular Weight475.60 g/mol
Exact Mass475.27
IUPAC Name4-(aminomethyl)-N,N-dimethylaniline;1-[[4-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea
SMILESCN(C)c1ccc(CN)cc1.CN(C)c1ccc(CNC(=O)Nc2cccc3[nH]c(=O)[nH]c23)cc1
InChIInChI=1S/C17H19N5O2.C9H14N2/c1-22(2)12-8-6-11(7-9-12)10-18-16(23)19-13-4-3-5-14-15(13)21-17(24)20-14;1-11(2)9-5-3-8(7-10)4-6-9/h3-9H,10H2,1-2H3,(H2,18,19,23)(H2,20,21,24);3-6H,7,10H2,1-2H3
InChIKeyWZNHKKAIBCADTA-UHFFFAOYSA-N
XLogP3.46
TPSA122.28 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 53.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,N-dimethylaniline;1-[[4-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea?
The IUPAC name of 4-(aminomethyl)-N,N-dimethylaniline;1-[[4-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea (CID 67460141) is 4-(aminomethyl)-N,N-dimethylaniline;1-[[4-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea.
What is the SMILES notation for 4-(aminomethyl)-N,N-dimethylaniline;1-[[4-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea?
The canonical SMILES for 4-(aminomethyl)-N,N-dimethylaniline;1-[[4-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea is CN(C)c1ccc(CN)cc1.CN(C)c1ccc(CNC(=O)Nc2cccc3[nH]c(=O)[nH]c23)cc1.
What is the InChIKey of 4-(aminomethyl)-N,N-dimethylaniline;1-[[4-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea?
The InChIKey is WZNHKKAIBCADTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2.C9H14N2/c1-22(2)12-8-6-11(7-9-12)10-18-16(23)19-13-4-3-5-14-15(13)21-17(24)20-14;1-11(2)9-5-3-8(7-10)4-6-9/h3-9H,10H2,1-2H3,(H2,18,19,23)(H2,20,21,24);3-6H,7,10H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N,N-dimethylaniline;1-[[4-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea?
4-(aminomethyl)-N,N-dimethylaniline;1-[[4-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea has a molecular weight of 475.60 g/mol, XLogP of 3.46, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,N-dimethylaniline;1-[[4-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea is sourced from PubChem (CID 67460141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).