N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide

C20H19FN4O2 — CID 90649915

IUPACN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N(C)CCc3nc4ccc(F)cc4[nH]3)cc2c1
InChIInChI=1S/C20H19FN4O2/c1-25(8-7-19-23-16-5-3-13(21)11-17(16)24-19)20(26)18-10-12-9-14(27-2)4-6-15(12)22-18/h3-6,9-11,22H,7-8H2,1-2H3,(H,23,24)
InChIKeyDLJCQHSBMHOUDL-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.51
Rot. Bonds5

About N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide

N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide (PubChem CID 90649915) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide
PubChem CID90649915
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N(C)CCc3nc4ccc(F)cc4[nH]3)cc2c1
InChIInChI=1S/C20H19FN4O2/c1-25(8-7-19-23-16-5-3-13(21)11-17(16)24-19)20(26)18-10-12-9-14(27-2)4-6-15(12)22-18/h3-6,9-11,22H,7-8H2,1-2H3,(H,23,24)
InChIKeyDLJCQHSBMHOUDL-UHFFFAOYSA-N
XLogP3.51
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 84560321
N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide
CID 23003326
N-butyl-5-fluoro-N-methyl-1H-indole-2-carboxamide
CID 17019825
3-[(5-fluoro-1H-indole-2-carbonyl)-methylamino]propanoic acid
CID 110834896
(2S)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(tetrazol-1-yl)propanamide
CID 118760636
N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 86859939
2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methylacetamide
CID 42165294
(2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125172872
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methylpropanamide
CID 90649076
N-[(2,4-difluorophenyl)methyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide
CID 134003047
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)benzamide
CID 131947626
2-cyclohexyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide
CID 42195933

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide (CID 90649915) is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)N(C)CCc3nc4ccc(F)cc4[nH]3)cc2c1.
What is the InChIKey of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide?
The InChIKey is DLJCQHSBMHOUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-25(8-7-19-23-16-5-3-13(21)11-17(16)24-19)20(26)18-10-12-9-14(27-2)4-6-15(12)22-18/h3-6,9-11,22H,7-8H2,1-2H3,(H,23,24).
What are the key properties of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide?
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 90649915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).