3-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea

C19H22N4O2 — CID 49133984

IUPAC3-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)NCc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C19H22N4O2/c1-2-22(11-12-24)19(25)20-13-15-7-9-16(10-8-15)23-14-21-17-5-3-4-6-18(17)23/h3-10,14,24H,2,11-13H2,1H3,(H,20,25)
InChIKeyUBYVPZJGQUSZPY-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.55
Rot. Bonds6

About 3-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea

3-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea (PubChem CID 49133984) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
PubChem CID49133984
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)NCc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C19H22N4O2/c1-2-22(11-12-24)19(25)20-13-15-7-9-16(10-8-15)23-14-21-17-5-3-4-6-18(17)23/h3-10,14,24H,2,11-13H2,1H3,(H,20,25)
InChIKeyUBYVPZJGQUSZPY-UHFFFAOYSA-N
XLogP2.55
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea
CID 110895646
(2R)-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-methylsulfonylpropanamide
CID 52535721
N-[[4-(benzimidazol-1-yl)phenyl]methyl]pyrazine-2-carboxamide
CID 49004009
1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(3-ethylpyrrol-1-yl)urea
CID 169434122
1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(2-hydroxyphenyl)urea
CID 169434130
(2S)-2-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119760560
4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide
CID 39964592
3-[(4-ethoxyphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 108884453
3-[(4-tert-butylphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110910290
4-(benzimidazol-1-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 31370181
7-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]heptanamide
CID 119760545
(2S)-2-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-4-methylsulfanylbutanamide
CID 119310153

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea (CID 49133984) is 3-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea is CCN(CCO)C(=O)NCc1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of 3-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The InChIKey is UBYVPZJGQUSZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-2-22(11-12-24)19(25)20-13-15-7-9-16(10-8-15)23-14-21-17-5-3-4-6-18(17)23/h3-10,14,24H,2,11-13H2,1H3,(H,20,25).
What are the key properties of 3-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea?
3-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea has a molecular weight of 338.41 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 49133984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).