2-(1H-imidazol-5-yl)-1-propan-2-ylindole-5-carbonitrile

C15H14N4 — CID 146604803

IUPAC2-(1H-imidazol-5-yl)-1-propan-2-ylindole-5-carbonitrile
SMILESCC(C)n1c(-c2cnc[nH]2)cc2cc(C#N)ccc21
InChIInChI=1S/C15H14N4/c1-10(2)19-14-4-3-11(7-16)5-12(14)6-15(19)13-8-17-9-18-13/h3-6,8-10H,1-2H3,(H,17,18)
InChIKeyBVLHKZIDCUDJIG-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.48
Rot. Bonds2

About 2-(1H-imidazol-5-yl)-1-propan-2-ylindole-5-carbonitrile

2-(1H-imidazol-5-yl)-1-propan-2-ylindole-5-carbonitrile (PubChem CID 146604803) has the molecular formula C15H14N4 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-1-propan-2-ylindole-5-carbonitrile.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-1-propan-2-ylindole-5-carbonitrile
PubChem CID146604803
Molecular FormulaC15H14N4
Molecular Weight250.30 g/mol
Exact Mass250.12
IUPAC Name2-(1H-imidazol-5-yl)-1-propan-2-ylindole-5-carbonitrile
SMILESCC(C)n1c(-c2cnc[nH]2)cc2cc(C#N)ccc21
InChIInChI=1S/C15H14N4/c1-10(2)19-14-4-3-11(7-16)5-12(14)6-15(19)13-8-17-9-18-13/h3-6,8-10H,1-2H3,(H,17,18)
InChIKeyBVLHKZIDCUDJIG-UHFFFAOYSA-N
XLogP3.48
TPSA57.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-1-propan-2-ylindole-5-carbonitrile?
The IUPAC name of 2-(1H-imidazol-5-yl)-1-propan-2-ylindole-5-carbonitrile (CID 146604803) is 2-(1H-imidazol-5-yl)-1-propan-2-ylindole-5-carbonitrile.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-1-propan-2-ylindole-5-carbonitrile?
The canonical SMILES for 2-(1H-imidazol-5-yl)-1-propan-2-ylindole-5-carbonitrile is CC(C)n1c(-c2cnc[nH]2)cc2cc(C#N)ccc21.
What is the InChIKey of 2-(1H-imidazol-5-yl)-1-propan-2-ylindole-5-carbonitrile?
The InChIKey is BVLHKZIDCUDJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-10(2)19-14-4-3-11(7-16)5-12(14)6-15(19)13-8-17-9-18-13/h3-6,8-10H,1-2H3,(H,17,18).
What are the key properties of 2-(1H-imidazol-5-yl)-1-propan-2-ylindole-5-carbonitrile?
2-(1H-imidazol-5-yl)-1-propan-2-ylindole-5-carbonitrile has a molecular weight of 250.30 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-1-propan-2-ylindole-5-carbonitrile is sourced from PubChem (CID 146604803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).