3-[(2R)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-4-methylbenzonitrile

C21H23N3 — CID 118441246

IUPAC3-[(2R)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1N1c2ccccc2N(C2CCCC2)[C@H]1C
InChIInChI=1S/C21H23N3/c1-15-11-12-17(14-22)13-21(15)24-16(2)23(18-7-3-4-8-18)19-9-5-6-10-20(19)24/h5-6,9-13,16,18H,3-4,7-8H2,1-2H3/t16-/m1/s1
InChIKeyCPLKMARTHKXCID-MRXNPFEDSA-N
MW317.44 g/mol
LogP5.11
Rot. Bonds2

About 3-[(2R)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-4-methylbenzonitrile

3-[(2R)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-4-methylbenzonitrile (PubChem CID 118441246) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 3-[(2R)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-4-methylbenzonitrile.

Molecular Properties

Compound Name3-[(2R)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-4-methylbenzonitrile
PubChem CID118441246
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name3-[(2R)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1N1c2ccccc2N(C2CCCC2)[C@H]1C
InChIInChI=1S/C21H23N3/c1-15-11-12-17(14-22)13-21(15)24-16(2)23(18-7-3-4-8-18)19-9-5-6-10-20(19)24/h5-6,9-13,16,18H,3-4,7-8H2,1-2H3/t16-/m1/s1
InChIKeyCPLKMARTHKXCID-MRXNPFEDSA-N
XLogP5.11
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.44
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-4-methylbenzonitrile?
The IUPAC name of 3-[(2R)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-4-methylbenzonitrile (CID 118441246) is 3-[(2R)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-4-methylbenzonitrile.
What is the SMILES notation for 3-[(2R)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-4-methylbenzonitrile?
The canonical SMILES for 3-[(2R)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-4-methylbenzonitrile is Cc1ccc(C#N)cc1N1c2ccccc2N(C2CCCC2)[C@H]1C.
What is the InChIKey of 3-[(2R)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-4-methylbenzonitrile?
The InChIKey is CPLKMARTHKXCID-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23N3/c1-15-11-12-17(14-22)13-21(15)24-16(2)23(18-7-3-4-8-18)19-9-5-6-10-20(19)24/h5-6,9-13,16,18H,3-4,7-8H2,1-2H3/t16-/m1/s1.
What are the key properties of 3-[(2R)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-4-methylbenzonitrile?
3-[(2R)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-4-methylbenzonitrile has a molecular weight of 317.44 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-4-methylbenzonitrile is sourced from PubChem (CID 118441246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).