2-(5-methylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile

C16H15N3S — CID 65040215

IUPAC2-(5-methylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile
SMILESCc1ccc(-c2nc3cc(C#N)ccc3n2C(C)C)s1
InChIInChI=1S/C16H15N3S/c1-10(2)19-14-6-5-12(9-17)8-13(14)18-16(19)15-7-4-11(3)20-15/h4-8,10H,1-3H3
InChIKeyBRLCPKVMHWYJJU-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.53
Rot. Bonds2

About 2-(5-methylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile

2-(5-methylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile (PubChem CID 65040215) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile
PubChem CID65040215
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name2-(5-methylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile
SMILESCc1ccc(-c2nc3cc(C#N)ccc3n2C(C)C)s1
InChIInChI=1S/C16H15N3S/c1-10(2)19-14-6-5-12(9-17)8-13(14)18-16(19)15-7-4-11(3)20-15/h4-8,10H,1-3H3
InChIKeyBRLCPKVMHWYJJU-UHFFFAOYSA-N
XLogP4.53
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(5-methylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile (CID 65040215) is 2-(5-methylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile is Cc1ccc(-c2nc3cc(C#N)ccc3n2C(C)C)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile?
The InChIKey is BRLCPKVMHWYJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-10(2)19-14-6-5-12(9-17)8-13(14)18-16(19)15-7-4-11(3)20-15/h4-8,10H,1-3H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile?
2-(5-methylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile has a molecular weight of 281.38 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 65040215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).