1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea

C24H23FN4O — CID 60604713

IUPAC1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1ccccc1F)NCc1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C24H23FN4O/c25-21-6-2-1-5-20(21)13-14-26-24(30)27-15-18-9-11-19(12-10-18)16-29-17-28-22-7-3-4-8-23(22)29/h1-12,17H,13-16H2,(H2,26,27,30)
InChIKeyWMCBANVICMIIOH-UHFFFAOYSA-N
MW402.47 g/mol
LogP4.27
Rot. Bonds7

About 1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea

1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea (PubChem CID 60604713) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is 1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea
PubChem CID60604713
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC Name1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1ccccc1F)NCc1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C24H23FN4O/c25-21-6-2-1-5-20(21)13-14-26-24(30)27-15-18-9-11-19(12-10-18)16-29-17-28-22-7-3-4-8-23(22)29/h1-12,17H,13-16H2,(H2,26,27,30)
InChIKeyWMCBANVICMIIOH-UHFFFAOYSA-N
XLogP4.27
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-butylurea
CID 48915751
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide
CID 49047342
1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 51290890
1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(2-hydroxyethyl)urea
CID 110911543
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-hydroxycyclobutane-1-carboxamide
CID 99777967
tert-butyl N-[4-[[4-(benzimidazol-1-ylmethyl)phenyl]methylcarbamoylamino]butan-2-yl]-N-methylcarbamate
CID 146146014
1-[[4-(dimethylamino)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 38949164
1-[3-(benzimidazol-1-yl)propyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 51291154
3-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide
CID 49086261
1-[3-(benzimidazol-1-yl)propyl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine
CID 111361421
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 62447048
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-imidazol-1-ylpropanamide
CID 49046843

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea?
The IUPAC name of 1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea (CID 60604713) is 1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea is O=C(NCCc1ccccc1F)NCc1ccc(Cn2cnc3ccccc32)cc1.
What is the InChIKey of 1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea?
The InChIKey is WMCBANVICMIIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c25-21-6-2-1-5-20(21)13-14-26-24(30)27-15-18-9-11-19(12-10-18)16-29-17-28-22-7-3-4-8-23(22)29/h1-12,17H,13-16H2,(H2,26,27,30).
What are the key properties of 1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea?
1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea has a molecular weight of 402.47 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea is sourced from PubChem (CID 60604713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).