1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(2-hydroxyethyl)urea

C18H20N4O2 — CID 110911543

IUPAC1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NCc1cccc(Cn2cnc3ccccc32)c1
InChIInChI=1S/C18H20N4O2/c23-9-8-19-18(24)20-11-14-4-3-5-15(10-14)12-22-13-21-16-6-1-2-7-17(16)22/h1-7,10,13,23H,8-9,11-12H2,(H2,19,20,24)
InChIKeyUONQAISQKVGBOV-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.88
Rot. Bonds6

About 1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(2-hydroxyethyl)urea

1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(2-hydroxyethyl)urea (PubChem CID 110911543) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(2-hydroxyethyl)urea
PubChem CID110911543
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NCc1cccc(Cn2cnc3ccccc32)c1
InChIInChI=1S/C18H20N4O2/c23-9-8-19-18(24)20-11-14-4-3-5-15(10-14)12-22-13-21-16-6-1-2-7-17(16)22/h1-7,10,13,23H,8-9,11-12H2,(H2,19,20,24)
InChIKeyUONQAISQKVGBOV-UHFFFAOYSA-N
XLogP1.88
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]butanamide
CID 119862887
1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(oxolan-3-yl)urea
CID 126772299
1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-butylurea
CID 48915751
N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 155516452
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014574
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-(carbamoylamino)pentanamide
CID 60602251
1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(4-hydroxy-4-phenylbutan-2-yl)urea
CID 166218064
(3R)-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide
CID 129369123
1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 60604713
1-[[3-(benzimidazol-1-ylmethyl)phenyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122004444
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119862872
N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 154859119

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(2-hydroxyethyl)urea (CID 110911543) is 1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(2-hydroxyethyl)urea is O=C(NCCO)NCc1cccc(Cn2cnc3ccccc32)c1.
What is the InChIKey of 1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(2-hydroxyethyl)urea?
The InChIKey is UONQAISQKVGBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-9-8-19-18(24)20-11-14-4-3-5-15(10-14)12-22-13-21-16-6-1-2-7-17(16)22/h1-7,10,13,23H,8-9,11-12H2,(H2,19,20,24).
What are the key properties of 1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(2-hydroxyethyl)urea?
1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(2-hydroxyethyl)urea has a molecular weight of 324.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 110911543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).