1-ethyl-3-[6-[1-[(4-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea

C27H23FN6O2 — CID 71232460

IUPAC1-ethyl-3-[6-[1-[(4-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3ccn(Cc4ccc(F)cc4)c(=O)c3)cc2[nH]1
InChIInChI=1S/C27H23FN6O2/c1-2-29-27(36)33-26-31-23-14-19(13-21(25(23)32-26)22-5-3-4-11-30-22)18-10-12-34(24(35)15-18)16-17-6-8-20(28)9-7-17/h3-15H,2,16H2,1H3,(H3,29,31,32,33,36)
InChIKeyOFGMYOFQZARXQQ-UHFFFAOYSA-N
MW482.52 g/mol
LogP4.78
Rot. Bonds6

About 1-ethyl-3-[6-[1-[(4-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea

1-ethyl-3-[6-[1-[(4-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea (PubChem CID 71232460) has the molecular formula C27H23FN6O2 and a molecular weight of 482.52 g/mol. Its IUPAC name is 1-ethyl-3-[6-[1-[(4-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[6-[1-[(4-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
PubChem CID71232460
Molecular FormulaC27H23FN6O2
Molecular Weight482.52 g/mol
Exact Mass482.19
IUPAC Name1-ethyl-3-[6-[1-[(4-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3ccn(Cc4ccc(F)cc4)c(=O)c3)cc2[nH]1
InChIInChI=1S/C27H23FN6O2/c1-2-29-27(36)33-26-31-23-14-19(13-21(25(23)32-26)22-5-3-4-11-30-22)18-10-12-34(24(35)15-18)16-17-6-8-20(28)9-7-17/h3-15H,2,16H2,1H3,(H3,29,31,32,33,36)
InChIKeyOFGMYOFQZARXQQ-UHFFFAOYSA-N
XLogP4.78
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Toreforant
CID 23650961
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3-[5-(1H-Imidazol-1-YL)-7-methyl-1H-benzimidazol-2-YL]-4-[(pyridin-2-ylmethyl)amino]pyridin-2(1H)-one
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4-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[3-(piperidin-1-yl)propyl]-1,2-dihydropyridin-2-one
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5-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[3-(piperidin-1-yl)propyl]-1,2-dihydropyridin-2-one
CID 5329408
4-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[2-(piperidin-1-yl)ethyl]-1,2-dihydropyridin-2-one
CID 5329409
5-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[2-(piperidin-1-yl)ethyl]-1,2-dihydropyridin-2-one
CID 5329410
5-(4-fluorophenyl)-N-[2-[methyl(propan-2-yl)amino]-3H-benzimidazol-5-yl]pyrimidine-2-carboxamide
CID 10024175
2-(ethylureido)-N-methyl-5-(pyridine-3-yl)-1H-benzo[d]imidazole-7-carboxamide
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1-ethyl-3-[7-(2-pyridyl)-5-(3-pyridyl)-1H-benzimidazol-2-yl]urea
CID 11428309
1-Ethyl-3-[5-(5-Fluoropyridin-3-Yl)-7-(Pyrimidin-2-Yl)-1h-Benzimidazol-2-Yl]urea
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3-ethyl-1-[7-(3-fluoropyridin-2-yl)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 11646514

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[6-[1-[(4-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-ethyl-3-[6-[1-[(4-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea (CID 71232460) is 1-ethyl-3-[6-[1-[(4-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[6-[1-[(4-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[6-[1-[(4-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3ccn(Cc4ccc(F)cc4)c(=O)c3)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-[6-[1-[(4-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?
The InChIKey is OFGMYOFQZARXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O2/c1-2-29-27(36)33-26-31-23-14-19(13-21(25(23)32-26)22-5-3-4-11-30-22)18-10-12-34(24(35)15-18)16-17-6-8-20(28)9-7-17/h3-15H,2,16H2,1H3,(H3,29,31,32,33,36).
What are the key properties of 1-ethyl-3-[6-[1-[(4-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?
1-ethyl-3-[6-[1-[(4-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea has a molecular weight of 482.52 g/mol, XLogP of 4.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[6-[1-[(4-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 71232460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).