1-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)urea

C23H21FN4O2 — CID 55806426

IUPAC1-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC(Cn2cnc3ccccc32)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H21FN4O2/c1-30-19-12-10-18(11-13-19)26-23(29)27-21(16-6-8-17(24)9-7-16)14-28-15-25-20-4-2-3-5-22(20)28/h2-13,15,21H,14H2,1H3,(H2,26,27,29)
InChIKeyDSFVRTDPPNLRQA-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.75
Rot. Bonds6

About 1-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)urea

1-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)urea (PubChem CID 55806426) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 1-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)urea
PubChem CID55806426
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name1-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC(Cn2cnc3ccccc32)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H21FN4O2/c1-30-19-12-10-18(11-13-19)26-23(29)27-21(16-6-8-17(24)9-7-16)14-28-15-25-20-4-2-3-5-22(20)28/h2-13,15,21H,14H2,1H3,(H2,26,27,29)
InChIKeyDSFVRTDPPNLRQA-UHFFFAOYSA-N
XLogP4.75
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methoxyacetamide
CID 71941395
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 55795820
2-amino-N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]acetamide
CID 124701161
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 55795884
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119851641
1-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 78889623
N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]azetidine-1-carboxamide
CID 94103478
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 55795679
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55795787
N-[2-[[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 86933208
3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 16772233
1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)urea (CID 55806426) is 1-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NC(Cn2cnc3ccccc32)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)urea?
The InChIKey is DSFVRTDPPNLRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-30-19-12-10-18(11-13-19)26-23(29)27-21(16-6-8-17(24)9-7-16)14-28-15-25-20-4-2-3-5-22(20)28/h2-13,15,21H,14H2,1H3,(H2,26,27,29).
What are the key properties of 1-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)urea?
1-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)urea has a molecular weight of 404.45 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 55806426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).