4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide

C16H11FN4O2 — CID 31401014

IUPAC4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C16H11FN4O2/c17-10-2-1-3-11-9(10)7-14(19-11)15(22)18-8-4-5-12-13(6-8)21-16(23)20-12/h1-7,19H,(H,18,22)(H2,20,21,23)
InChIKeyPVIPMASKBKJOFR-UHFFFAOYSA-N
MW310.29 g/mol
LogP2.73
Rot. Bonds2

About 4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide

4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide (PubChem CID 31401014) has the molecular formula C16H11FN4O2 and a molecular weight of 310.29 g/mol. Its IUPAC name is 4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
PubChem CID31401014
Molecular FormulaC16H11FN4O2
Molecular Weight310.29 g/mol
Exact Mass310.09
IUPAC Name4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C16H11FN4O2/c17-10-2-1-3-11-9(10)7-14(19-11)15(22)18-8-4-5-12-13(6-8)21-16(23)20-12/h1-7,19H,(H,18,22)(H2,20,21,23)
InChIKeyPVIPMASKBKJOFR-UHFFFAOYSA-N
XLogP2.73
TPSA93.54 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

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N-Phenyl-1H-indole-2-carboxamide
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(5-fluoro-1H-indol-2-yl)-(1H-indol-2-yl)methanone
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N-{3-[4-(dimethylamino)piperidin-1-yl]phenyl}-4-fluoro-7-methyl-1H-indole-2-carboxamide
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N-[(3S)-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
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N-benzyl-5-fluoro-N-methyl-1H-indole-2-carboxamide
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5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 4910187
N-[4-[methyl-[(10R)-2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-10-yl]amino]butyl]-1H-indole-2-carboxamide
CID 127046922
N-[4-[[(10R)-2-oxo-3-propyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-10-yl]-propylamino]butyl]-1H-indole-2-carboxamide
CID 137653034
5-ethyl-N-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide
CID 2823639
N-(4-fluorophenyl)-5-methyl-1H-indole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide?
The IUPAC name of 4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide (CID 31401014) is 4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc2c(F)cccc2[nH]1.
What is the InChIKey of 4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide?
The InChIKey is PVIPMASKBKJOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O2/c17-10-2-1-3-11-9(10)7-14(19-11)15(22)18-8-4-5-12-13(6-8)21-16(23)20-12/h1-7,19H,(H,18,22)(H2,20,21,23).
What are the key properties of 4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide?
4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide has a molecular weight of 310.29 g/mol, XLogP of 2.73, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 31401014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).