2-(2-methoxyphenyl)-5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-propan-2-ylpentanenitrile

C27H35N5O — CID 22393564

IUPAC2-(2-methoxyphenyl)-5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-propan-2-ylpentanenitrile
SMILESCOc1ccccc1C(C#N)(CCCN1CCN(c2nc3ccccc3n2C)CC1)C(C)C
InChIInChI=1S/C27H35N5O/c1-21(2)27(20-28,22-10-5-8-13-25(22)33-4)14-9-15-31-16-18-32(19-17-31)26-29-23-11-6-7-12-24(23)30(26)3/h5-8,10-13,21H,9,14-19H2,1-4H3
InChIKeyCLKBINAZQBHYKW-UHFFFAOYSA-N
MW445.61 g/mol
LogP4.60
Rot. Bonds8

About 2-(2-methoxyphenyl)-5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-propan-2-ylpentanenitrile

2-(2-methoxyphenyl)-5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-propan-2-ylpentanenitrile (PubChem CID 22393564) has the molecular formula C27H35N5O and a molecular weight of 445.61 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-propan-2-ylpentanenitrile.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-propan-2-ylpentanenitrile
PubChem CID22393564
Molecular FormulaC27H35N5O
Molecular Weight445.61 g/mol
Exact Mass445.28
IUPAC Name2-(2-methoxyphenyl)-5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-propan-2-ylpentanenitrile
SMILESCOc1ccccc1C(C#N)(CCCN1CCN(c2nc3ccccc3n2C)CC1)C(C)C
InChIInChI=1S/C27H35N5O/c1-21(2)27(20-28,22-10-5-8-13-25(22)33-4)14-9-15-31-16-18-32(19-17-31)26-29-23-11-6-7-12-24(23)30(26)3/h5-8,10-13,21H,9,14-19H2,1-4H3
InChIKeyCLKBINAZQBHYKW-UHFFFAOYSA-N
XLogP4.60
TPSA57.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-methoxyphenyl)-5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-propan-2-ylpentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyphenyl)-5-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-2-propan-2-ylpentanenitrile
CID 22393760
5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile
CID 22393823
(2R)-2-(2-methylphenyl)-5-(4-methylpiperazin-1-yl)-2-propan-2-ylpentanenitrile
CID 92763456
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfanyl]-1-methylbenzimidazole
CID 24949695
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine
CID 10109444
6-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-2-methyl-3-(2-methylphenyl)hexan-3-amine
CID 71170017
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071
2-(2-fluorophenyl)-5-piperazin-1-yl-2-propan-2-ylpentanenitrile
CID 22393631
5-[4-(2-methoxypropanoyl)piperazin-1-yl]-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile;hydrochloride
CID 51057105
5-[4-[(1-methylindol-2-yl)methyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile
CID 20800768
2-(4-methoxyphenyl)-5-piperidin-1-yl-2-propan-2-ylpentanenitrile
CID 134112534
2-methyl-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]propan-2-amine
CID 82167730

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-propan-2-ylpentanenitrile?
The IUPAC name of 2-(2-methoxyphenyl)-5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-propan-2-ylpentanenitrile (CID 22393564) is 2-(2-methoxyphenyl)-5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-propan-2-ylpentanenitrile.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-propan-2-ylpentanenitrile?
The canonical SMILES for 2-(2-methoxyphenyl)-5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-propan-2-ylpentanenitrile is COc1ccccc1C(C#N)(CCCN1CCN(c2nc3ccccc3n2C)CC1)C(C)C.
What is the InChIKey of 2-(2-methoxyphenyl)-5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-propan-2-ylpentanenitrile?
The InChIKey is CLKBINAZQBHYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O/c1-21(2)27(20-28,22-10-5-8-13-25(22)33-4)14-9-15-31-16-18-32(19-17-31)26-29-23-11-6-7-12-24(23)30(26)3/h5-8,10-13,21H,9,14-19H2,1-4H3.
What are the key properties of 2-(2-methoxyphenyl)-5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-propan-2-ylpentanenitrile?
2-(2-methoxyphenyl)-5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-propan-2-ylpentanenitrile has a molecular weight of 445.61 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-propan-2-ylpentanenitrile is sourced from PubChem (CID 22393564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).