2-[amino-(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-3H-benzimidazole-5-carbonitrile

C20H19N5 — CID 86701632

IUPAC2-[amino-(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-3H-benzimidazole-5-carbonitrile
SMILESCCc1cc(C)c2[nH]ccc2c1C(N)c1nc2ccc(C#N)cc2[nH]1
InChIInChI=1S/C20H19N5/c1-3-13-8-11(2)19-14(6-7-23-19)17(13)18(22)20-24-15-5-4-12(10-21)9-16(15)25-20/h4-9,18,23H,3,22H2,1-2H3,(H,24,25)
InChIKeyRNYNYMOJXCPLSD-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.83
Rot. Bonds3

About 2-[amino-(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-3H-benzimidazole-5-carbonitrile

2-[amino-(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-3H-benzimidazole-5-carbonitrile (PubChem CID 86701632) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 2-[amino-(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[amino-(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-3H-benzimidazole-5-carbonitrile
PubChem CID86701632
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name2-[amino-(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-3H-benzimidazole-5-carbonitrile
SMILESCCc1cc(C)c2[nH]ccc2c1C(N)c1nc2ccc(C#N)cc2[nH]1
InChIInChI=1S/C20H19N5/c1-3-13-8-11(2)19-14(6-7-23-19)17(13)18(22)20-24-15-5-4-12(10-21)9-16(15)25-20/h4-9,18,23H,3,22H2,1-2H3,(H,24,25)
InChIKeyRNYNYMOJXCPLSD-UHFFFAOYSA-N
XLogP3.83
TPSA94.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5,7-dimethyl-1H-indol-4-yl)propyl]-3H-benzimidazole-5-carbonitrile
CID 147943521
2-[1-(6-cyano-1H-benzimidazol-2-yl)-1-(5-ethyl-7-methyl-1H-indol-4-yl)-2,2,2-trifluoroethoxy]acetic acid
CID 86701662
[2-[1-amino-3-(6-cyano-1H-benzimidazol-2-yl)-3-(5-methoxy-7-methyl-1H-indol-4-yl)propylidene]hydrazinyl]-methylazanium
CID 163979063
2-[[7-(hydroxymethyl)-5-methyl-1H-indol-4-yl]methyl]-3H-benzimidazole-5-carbonitrile
CID 86701685
2-[1-(5,7-dimethyl-1H-indol-4-yl)-1-methoxyethyl]-3H-benzimidazole-5-carbonitrile
CID 86701604
2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-3H-benzimidazole-5-carbonitrile
CID 71812266
2-[(7-bromo-5-methyl-1H-indol-4-yl)methyl]-3H-benzimidazole-5-carbonitrile
CID 86701681
2-[2,2,2-trifluoro-1-hydroxy-1-[5-[(R)-hydroxy(methylamino)methyl]-7-methyl-1H-indol-4-yl]ethyl]-3H-benzimidazole-5-carbonitrile
CID 90057030
2-[1-[amino(dihydroxy)methoxy]-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-3H-benzimidazole-5-carbonitrile
CID 123440574
2-ethyl-3H-benzimidazole-5-carbonitrile
CID 70184762
2-[(1R,2R)-2-(6-cyano-1H-benzimidazol-2-yl)-1,2-dihydroxyethyl]-3H-benzimidazole-5-carbonitrile
CID 6927993
carbonic acid;2-[1-(5-methoxy-7-methyl-1H-indol-4-yl)cyclopropyl]-3H-benzimidazole-5-carbonitrile
CID 126713644

Frequently Asked Questions

What is the IUPAC name of 2-[amino-(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-[amino-(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-3H-benzimidazole-5-carbonitrile (CID 86701632) is 2-[amino-(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-[amino-(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-[amino-(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-3H-benzimidazole-5-carbonitrile is CCc1cc(C)c2[nH]ccc2c1C(N)c1nc2ccc(C#N)cc2[nH]1.
What is the InChIKey of 2-[amino-(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-3H-benzimidazole-5-carbonitrile?
The InChIKey is RNYNYMOJXCPLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-3-13-8-11(2)19-14(6-7-23-19)17(13)18(22)20-24-15-5-4-12(10-21)9-16(15)25-20/h4-9,18,23H,3,22H2,1-2H3,(H,24,25).
What are the key properties of 2-[amino-(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-3H-benzimidazole-5-carbonitrile?
2-[amino-(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-3H-benzimidazole-5-carbonitrile has a molecular weight of 329.41 g/mol, XLogP of 3.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 86701632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).