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

C21H18N4O2 — CID 169434130

IUPAC1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(2-hydroxyphenyl)urea
SMILESO=C(NCc1ccc(-n2cnc3ccccc32)cc1)Nc1ccccc1O
InChIInChI=1S/C21H18N4O2/c26-20-8-4-2-6-18(20)24-21(27)22-13-15-9-11-16(12-10-15)25-14-23-17-5-1-3-7-19(17)25/h1-12,14,26H,13H2,(H2,22,24,27)
InChIKeyVYXWYAJZXCXNJL-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.05
Rot. Bonds4

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

1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(2-hydroxyphenyl)urea (PubChem CID 169434130) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(2-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(2-hydroxyphenyl)urea
PubChem CID169434130
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(2-hydroxyphenyl)urea
SMILESO=C(NCc1ccc(-n2cnc3ccccc32)cc1)Nc1ccccc1O
InChIInChI=1S/C21H18N4O2/c26-20-8-4-2-6-18(20)24-21(27)22-13-15-9-11-16(12-10-15)25-14-23-17-5-1-3-7-19(17)25/h1-12,14,26H,13H2,(H2,22,24,27)
InChIKeyVYXWYAJZXCXNJL-UHFFFAOYSA-N
XLogP4.05
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-methylsulfonylpropanamide
CID 52535721
1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(3-ethylpyrrol-1-yl)urea
CID 169434122
(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
7-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]heptanamide
CID 119760545
N-[[4-(benzimidazol-1-yl)phenyl]methyl]pyrazine-2-carboxamide
CID 49004009
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-azabicyclo[3.2.1]octane-5-carboxamide
CID 166402905
N-[4-(benzimidazol-1-yl)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78840226
3-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 49133984
(2S)-2-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-4-methylsulfanylbutanamide
CID 119310153
N-[[4-(benzimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 166203692
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide
CID 167882891

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(2-hydroxyphenyl)urea?
The IUPAC name of 1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(2-hydroxyphenyl)urea (CID 169434130) is 1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(2-hydroxyphenyl)urea.
What is the SMILES notation for 1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(2-hydroxyphenyl)urea?
The canonical SMILES for 1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(2-hydroxyphenyl)urea is O=C(NCc1ccc(-n2cnc3ccccc32)cc1)Nc1ccccc1O.
What is the InChIKey of 1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(2-hydroxyphenyl)urea?
The InChIKey is VYXWYAJZXCXNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c26-20-8-4-2-6-18(20)24-21(27)22-13-15-9-11-16(12-10-15)25-14-23-17-5-1-3-7-19(17)25/h1-12,14,26H,13H2,(H2,22,24,27).
What are the key properties of 1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(2-hydroxyphenyl)urea?
1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(2-hydroxyphenyl)urea has a molecular weight of 358.40 g/mol, XLogP of 4.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(2-hydroxyphenyl)urea is sourced from PubChem (CID 169434130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).