6-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide

C19H17FN4O — CID 90250208

IUPAC6-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C19H17FN4O/c1-12-10-13-4-2-3-5-17(13)24(12)9-8-21-19(25)18-22-15-7-6-14(20)11-16(15)23-18/h2-7,10-11H,8-9H2,1H3,(H,21,25)(H,22,23)
InChIKeyASPUMKIMKUDGFX-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.40
Rot. Bonds4

About 6-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide

6-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide (PubChem CID 90250208) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 6-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide
PubChem CID90250208
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name6-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C19H17FN4O/c1-12-10-13-4-2-3-5-17(13)24(12)9-8-21-19(25)18-22-15-7-6-14(20)11-16(15)23-18/h2-7,10-11H,8-9H2,1H3,(H,21,25)(H,22,23)
InChIKeyASPUMKIMKUDGFX-UHFFFAOYSA-N
XLogP3.40
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide?
The IUPAC name of 6-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide (CID 90250208) is 6-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide is Cc1cc2ccccc2n1CCNC(=O)c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 6-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide?
The InChIKey is ASPUMKIMKUDGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-12-10-13-4-2-3-5-17(13)24(12)9-8-21-19(25)18-22-15-7-6-14(20)11-16(15)23-18/h2-7,10-11H,8-9H2,1H3,(H,21,25)(H,22,23).
What are the key properties of 6-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide?
6-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 90250208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).