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

C30H41N5O — CID 22393760

IUPAC2-(2-methoxyphenyl)-5-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-2-propan-2-ylpentanenitrile
SMILESCOc1ccccc1C(C#N)(CCCN1CCN(c2nc3ccccc3n2CC(C)C)CC1)C(C)C
InChIInChI=1S/C30H41N5O/c1-23(2)21-35-27-13-8-7-12-26(27)32-29(35)34-19-17-33(18-20-34)16-10-15-30(22-31,24(3)4)25-11-6-9-14-28(25)36-5/h6-9,11-14,23-24H,10,15-21H2,1-5H3
InChIKeyJTDPWTNSLOMDQJ-UHFFFAOYSA-N
MW487.69 g/mol
LogP5.72
Rot. Bonds10

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

2-(2-methoxyphenyl)-5-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-2-propan-2-ylpentanenitrile (PubChem CID 22393760) has the molecular formula C30H41N5O and a molecular weight of 487.69 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-2-propan-2-ylpentanenitrile.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-2-propan-2-ylpentanenitrile
PubChem CID22393760
Molecular FormulaC30H41N5O
Molecular Weight487.69 g/mol
Exact Mass487.33
IUPAC Name2-(2-methoxyphenyl)-5-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-2-propan-2-ylpentanenitrile
SMILESCOc1ccccc1C(C#N)(CCCN1CCN(c2nc3ccccc3n2CC(C)C)CC1)C(C)C
InChIInChI=1S/C30H41N5O/c1-23(2)21-35-27-13-8-7-12-26(27)32-29(35)34-19-17-33(18-20-34)16-10-15-30(22-31,24(3)4)25-11-6-9-14-28(25)36-5/h6-9,11-14,23-24H,10,15-21H2,1-5H3
InChIKeyJTDPWTNSLOMDQJ-UHFFFAOYSA-N
XLogP5.72
TPSA57.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.69
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-methoxyphenyl)-5-[4-[1-(2-methylpropyl)benzimidazol-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-methylbenzimidazol-2-yl)piperazin-1-yl]-2-propan-2-ylpentanenitrile
CID 22393564
5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile
CID 22393823
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-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfanyl]-1-methylbenzimidazole
CID 24949695
3-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]propan-1-amine
CID 82167740
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine
CID 10109444
5-[4-[(1-methylindol-2-yl)methyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile
CID 20800768
1-(3-methylbutyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole
CID 90350029
5-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-naphthalen-1-yl-2-propan-2-ylpentanenitrile;hydrochloride
CID 19747829
3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one
CID 53131556
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-2-propan-2-ylpentanenitrile?
The IUPAC name of 2-(2-methoxyphenyl)-5-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-2-propan-2-ylpentanenitrile (CID 22393760) is 2-(2-methoxyphenyl)-5-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-2-propan-2-ylpentanenitrile.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-2-propan-2-ylpentanenitrile?
The canonical SMILES for 2-(2-methoxyphenyl)-5-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-2-propan-2-ylpentanenitrile is COc1ccccc1C(C#N)(CCCN1CCN(c2nc3ccccc3n2CC(C)C)CC1)C(C)C.
What is the InChIKey of 2-(2-methoxyphenyl)-5-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-2-propan-2-ylpentanenitrile?
The InChIKey is JTDPWTNSLOMDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N5O/c1-23(2)21-35-27-13-8-7-12-26(27)32-29(35)34-19-17-33(18-20-34)16-10-15-30(22-31,24(3)4)25-11-6-9-14-28(25)36-5/h6-9,11-14,23-24H,10,15-21H2,1-5H3.
What are the key properties of 2-(2-methoxyphenyl)-5-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-2-propan-2-ylpentanenitrile?
2-(2-methoxyphenyl)-5-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-2-propan-2-ylpentanenitrile has a molecular weight of 487.69 g/mol, XLogP of 5.72, 10 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-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-2-propan-2-ylpentanenitrile is sourced from PubChem (CID 22393760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).