1-ethyl-3-(5-fluoro-4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea

C18H18FN5O2 — CID 58241391

IUPAC1-ethyl-3-(5-fluoro-4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2c(C(=O)CC)c(F)c(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C18H18FN5O2/c1-3-13(25)14-15(19)11(10-6-5-7-20-9-10)8-12-16(14)23-17(22-12)24-18(26)21-4-2/h5-9H,3-4H2,1-2H3,(H3,21,22,23,24,26)
InChIKeyYRNGSJOXHAAXBO-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.50
Rot. Bonds5

About 1-ethyl-3-(5-fluoro-4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea

1-ethyl-3-(5-fluoro-4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea (PubChem CID 58241391) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 1-ethyl-3-(5-fluoro-4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(5-fluoro-4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
PubChem CID58241391
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name1-ethyl-3-(5-fluoro-4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2c(C(=O)CC)c(F)c(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C18H18FN5O2/c1-3-13(25)14-15(19)11(10-6-5-7-20-9-10)8-12-16(14)23-17(22-12)24-18(26)21-4-2/h5-9H,3-4H2,1-2H3,(H3,21,22,23,24,26)
InChIKeyYRNGSJOXHAAXBO-UHFFFAOYSA-N
XLogP3.50
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CID 89324885
CID 89324885
1-(4-cyano-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea
CID 21366055
1-ethyl-3-(4-phenylmethoxy-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
CID 21366049
1-(4-butanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea;1-ethyl-3-[4-(2-methylbutanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methylpropanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
CID 158263506
1-[4-(C-cyclopropyl-N-ethoxycarbonimidoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea
CID 90785547
1-ethyl-3-[4-(1-ethylimidazole-2-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
CID 10318992
1-ethyl-3-(4-imidazo[1,2-a]pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
CID 71232480
1-ethyl-3-[4-[3-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
CID 44601215
1-ethyl-3-[6-(5-fluoro-3-pyridinyl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea
CID 11494578
1-ethyl-3-[4-(3-methyl-1λ3-ioda-3-azacyclohexa-1,4-dien-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
CID 163790450
1-ethyl-3-[5-fluoro-6-[6-(1-hydroxyethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 118721910
2-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]-3,4-dihydropyrazole-4-carboxylic acid
CID 71033102

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(5-fluoro-4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The IUPAC name of 1-ethyl-3-(5-fluoro-4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea (CID 58241391) is 1-ethyl-3-(5-fluoro-4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(5-fluoro-4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(5-fluoro-4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea is CCNC(=O)Nc1nc2c(C(=O)CC)c(F)c(-c3cccnc3)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-(5-fluoro-4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The InChIKey is YRNGSJOXHAAXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-3-13(25)14-15(19)11(10-6-5-7-20-9-10)8-12-16(14)23-17(22-12)24-18(26)21-4-2/h5-9H,3-4H2,1-2H3,(H3,21,22,23,24,26).
What are the key properties of 1-ethyl-3-(5-fluoro-4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
1-ethyl-3-(5-fluoro-4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea has a molecular weight of 355.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(5-fluoro-4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea is sourced from PubChem (CID 58241391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).