1-ethyl-5-fluoro-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylindole-2-carboxamide

C30H31FN4O — CID 70211828

IUPAC1-ethyl-5-fluoro-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylindole-2-carboxamide
SMILESCCCN(Cc1cc(-c2ccc3nc(C)[nH]c3c2)ccc1C)C(=O)c1cc2cc(F)ccc2n1CC
InChIInChI=1S/C30H31FN4O/c1-5-13-34(30(36)29-17-23-15-25(31)10-12-28(23)35(29)6-2)18-24-14-21(8-7-19(24)3)22-9-11-26-27(16-22)33-20(4)32-26/h7-12,14-17H,5-6,13,18H2,1-4H3,(H,32,33)
InChIKeyMECOAESEANBUHU-UHFFFAOYSA-N
MW482.60 g/mol
LogP7.01
Rot. Bonds7

About 1-ethyl-5-fluoro-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylindole-2-carboxamide

1-ethyl-5-fluoro-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylindole-2-carboxamide (PubChem CID 70211828) has the molecular formula C30H31FN4O and a molecular weight of 482.60 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylindole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-fluoro-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylindole-2-carboxamide
PubChem CID70211828
Molecular FormulaC30H31FN4O
Molecular Weight482.60 g/mol
Exact Mass482.25
IUPAC Name1-ethyl-5-fluoro-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylindole-2-carboxamide
SMILESCCCN(Cc1cc(-c2ccc3nc(C)[nH]c3c2)ccc1C)C(=O)c1cc2cc(F)ccc2n1CC
InChIInChI=1S/C30H31FN4O/c1-5-13-34(30(36)29-17-23-15-25(31)10-12-28(23)35(29)6-2)18-24-14-21(8-7-19(24)3)22-9-11-26-27(16-22)33-20(4)32-26/h7-12,14-17H,5-6,13,18H2,1-4H3,(H,32,33)
InChIKeyMECOAESEANBUHU-UHFFFAOYSA-N
XLogP7.01
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.60
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylbenzamide
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CID 90995136
2-(3-fluorophenyl)-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-4-oxo-N-propylpiperidine-1-carboxamide
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CID 123454273
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1-ethyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazole-5-carboxylic acid
CID 82376213
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylindole-2-carboxamide?
The IUPAC name of 1-ethyl-5-fluoro-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylindole-2-carboxamide (CID 70211828) is 1-ethyl-5-fluoro-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylindole-2-carboxamide.
What is the SMILES notation for 1-ethyl-5-fluoro-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylindole-2-carboxamide?
The canonical SMILES for 1-ethyl-5-fluoro-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylindole-2-carboxamide is CCCN(Cc1cc(-c2ccc3nc(C)[nH]c3c2)ccc1C)C(=O)c1cc2cc(F)ccc2n1CC.
What is the InChIKey of 1-ethyl-5-fluoro-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylindole-2-carboxamide?
The InChIKey is MECOAESEANBUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN4O/c1-5-13-34(30(36)29-17-23-15-25(31)10-12-28(23)35(29)6-2)18-24-14-21(8-7-19(24)3)22-9-11-26-27(16-22)33-20(4)32-26/h7-12,14-17H,5-6,13,18H2,1-4H3,(H,32,33).
What are the key properties of 1-ethyl-5-fluoro-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylindole-2-carboxamide?
1-ethyl-5-fluoro-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylindole-2-carboxamide has a molecular weight of 482.60 g/mol, XLogP of 7.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylindole-2-carboxamide is sourced from PubChem (CID 70211828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).