2-[(2S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-2-yl]-1H-benzimidazole

C19H25N5 — CID 124757526

IUPAC2-[(2S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-2-yl]-1H-benzimidazole
SMILESCc1nccn1CCCN1CCCC[C@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C19H25N5/c1-15-20-10-14-23(15)12-6-13-24-11-5-4-9-18(24)19-21-16-7-2-3-8-17(16)22-19/h2-3,7-8,10,14,18H,4-6,9,11-13H2,1H3,(H,21,22)/t18-/m0/s1
InChIKeyWNWRZKYSMMPWLG-SFHVURJKSA-N
MW323.44 g/mol
LogP3.69
Rot. Bonds5

About 2-[(2S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-2-yl]-1H-benzimidazole

2-[(2S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-2-yl]-1H-benzimidazole (PubChem CID 124757526) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[(2S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-2-yl]-1H-benzimidazole
PubChem CID124757526
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name2-[(2S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-2-yl]-1H-benzimidazole
SMILESCc1nccn1CCCN1CCCC[C@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C19H25N5/c1-15-20-10-14-23(15)12-6-13-24-11-5-4-9-18(24)19-21-16-7-2-3-8-17(16)22-19/h2-3,7-8,10,14,18H,4-6,9,11-13H2,1H3,(H,21,22)/t18-/m0/s1
InChIKeyWNWRZKYSMMPWLG-SFHVURJKSA-N
XLogP3.69
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-2-yl]-1H-benzimidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[(2S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-2-yl]-1H-benzimidazole (CID 124757526) is 2-[(2S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[(2S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-2-yl]-1H-benzimidazole is Cc1nccn1CCCN1CCCC[C@H]1c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(2S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-2-yl]-1H-benzimidazole?
The InChIKey is WNWRZKYSMMPWLG-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25N5/c1-15-20-10-14-23(15)12-6-13-24-11-5-4-9-18(24)19-21-16-7-2-3-8-17(16)22-19/h2-3,7-8,10,14,18H,4-6,9,11-13H2,1H3,(H,21,22)/t18-/m0/s1.
What are the key properties of 2-[(2S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-2-yl]-1H-benzimidazole?
2-[(2S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-2-yl]-1H-benzimidazole has a molecular weight of 323.44 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 124757526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).