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

C27H35N5 — CID 22393823

IUPAC5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile
SMILESCc1ccccc1C(C#N)(CCCN1CCN(c2nc3ccccc3n2C)CC1)C(C)C
InChIInChI=1S/C27H35N5/c1-21(2)27(20-28,23-11-6-5-10-22(23)3)14-9-15-31-16-18-32(19-17-31)26-29-24-12-7-8-13-25(24)30(26)4/h5-8,10-13,21H,9,14-19H2,1-4H3
InChIKeyNWANRDZKEXBMDX-UHFFFAOYSA-N
MW429.61 g/mol
LogP4.90
Rot. Bonds7

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

5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile (PubChem CID 22393823) has the molecular formula C27H35N5 and a molecular weight of 429.61 g/mol. Its IUPAC name is 5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile.

Molecular Properties

Compound Name5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile
PubChem CID22393823
Molecular FormulaC27H35N5
Molecular Weight429.61 g/mol
Exact Mass429.29
IUPAC Name5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile
SMILESCc1ccccc1C(C#N)(CCCN1CCN(c2nc3ccccc3n2C)CC1)C(C)C
InChIInChI=1S/C27H35N5/c1-21(2)27(20-28,23-11-6-5-10-22(23)3)14-9-15-31-16-18-32(19-17-31)26-29-24-12-7-8-13-25(24)30(26)4/h5-8,10-13,21H,9,14-19H2,1-4H3
InChIKeyNWANRDZKEXBMDX-UHFFFAOYSA-N
XLogP4.90
TPSA48.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-propan-2-ylpentanenitrile
CID 22393564
(2R)-2-(2-methylphenyl)-5-(4-methylpiperazin-1-yl)-2-propan-2-ylpentanenitrile
CID 92763456
2-(2-methoxyphenyl)-5-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-2-propan-2-ylpentanenitrile
CID 22393760
6-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-2-methyl-3-(2-methylphenyl)hexan-3-amine
CID 71170017
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-(2-fluorophenyl)-5-piperazin-1-yl-2-propan-2-ylpentanenitrile
CID 22393631
2-methyl-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]propan-2-amine
CID 82167730
2-(2-methylphenyl)-2-propan-2-ylpentanenitrile
CID 57318140
5-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-naphthalen-1-yl-2-propan-2-ylpentanenitrile;hydrochloride
CID 19747829
1-(3-methylbutyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole
CID 90350029
2-(3-fluorophenyl)-5-piperazin-1-yl-2-propan-2-ylpentanenitrile
CID 22393736

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile?
The IUPAC name of 5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile (CID 22393823) is 5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile.
What is the SMILES notation for 5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile?
The canonical SMILES for 5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile is Cc1ccccc1C(C#N)(CCCN1CCN(c2nc3ccccc3n2C)CC1)C(C)C.
What is the InChIKey of 5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile?
The InChIKey is NWANRDZKEXBMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5/c1-21(2)27(20-28,23-11-6-5-10-22(23)3)14-9-15-31-16-18-32(19-17-31)26-29-24-12-7-8-13-25(24)30(26)4/h5-8,10-13,21H,9,14-19H2,1-4H3.
What are the key properties of 5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile?
5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile has a molecular weight of 429.61 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile is sourced from PubChem (CID 22393823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).