2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole

C14H17N3 — CID 95909938

IUPAC2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole
SMILESCCN1CC=C(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C14H17N3/c1-2-17-9-7-11(8-10-17)14-15-12-5-3-4-6-13(12)16-14/h3-7H,2,8-10H2,1H3,(H,15,16)
InChIKeyXDTVADSMQXPUNU-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.67
Rot. Bonds2

About 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole

2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole (PubChem CID 95909938) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole
PubChem CID95909938
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole
SMILESCCN1CC=C(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C14H17N3/c1-2-17-9-7-11(8-10-17)14-15-12-5-3-4-6-13(12)16-14/h3-7H,2,8-10H2,1H3,(H,15,16)
InChIKeyXDTVADSMQXPUNU-UHFFFAOYSA-N
XLogP2.67
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-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-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole?
The IUPAC name of 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole (CID 95909938) is 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole?
The canonical SMILES for 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole is CCN1CC=C(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole?
The InChIKey is XDTVADSMQXPUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-17-9-7-11(8-10-17)14-15-12-5-3-4-6-13(12)16-14/h3-7H,2,8-10H2,1H3,(H,15,16).
What are the key properties of 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole?
2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole has a molecular weight of 227.31 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole is sourced from PubChem (CID 95909938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).