2-chloro-5-[[2-[(Z)-1-nitro-2-thiophen-2-ylethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride

C15H14Cl2N4O2S — CID 25208380

IUPAC2-chloro-5-[[2-[(Z)-1-nitro-2-thiophen-2-ylethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride
SMILESCl.O=[N+]([O-])/C(=C\c1cccs1)C1=NCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C15H13ClN4O2S.ClH/c16-14-4-3-11(9-18-14)10-19-6-5-17-15(19)13(20(21)22)8-12-2-1-7-23-12;/h1-4,7-9H,5-6,10H2;1H/b13-8-;
InChIKeyHHAPNVOVCDNNAI-MGAWDJABSA-N
MW385.28 g/mol
LogP3.75
Rot. Bonds5

About 2-chloro-5-[[2-[(Z)-1-nitro-2-thiophen-2-ylethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride

2-chloro-5-[[2-[(Z)-1-nitro-2-thiophen-2-ylethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride (PubChem CID 25208380) has the molecular formula C15H14Cl2N4O2S and a molecular weight of 385.28 g/mol. Its IUPAC name is 2-chloro-5-[[2-[(Z)-1-nitro-2-thiophen-2-ylethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride.

Molecular Properties

Compound Name2-chloro-5-[[2-[(Z)-1-nitro-2-thiophen-2-ylethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride
PubChem CID25208380
Molecular FormulaC15H14Cl2N4O2S
Molecular Weight385.28 g/mol
Exact Mass384.02
IUPAC Name2-chloro-5-[[2-[(Z)-1-nitro-2-thiophen-2-ylethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride
SMILESCl.O=[N+]([O-])/C(=C\c1cccs1)C1=NCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C15H13ClN4O2S.ClH/c16-14-4-3-11(9-18-14)10-19-6-5-17-15(19)13(20(21)22)8-12-2-1-7-23-12;/h1-4,7-9H,5-6,10H2;1H/b13-8-;
InChIKeyHHAPNVOVCDNNAI-MGAWDJABSA-N
XLogP3.75
TPSA71.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.28
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2-[(Z)-1-nitro-2-thiophen-2-ylethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride?
The IUPAC name of 2-chloro-5-[[2-[(Z)-1-nitro-2-thiophen-2-ylethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride (CID 25208380) is 2-chloro-5-[[2-[(Z)-1-nitro-2-thiophen-2-ylethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride.
What is the SMILES notation for 2-chloro-5-[[2-[(Z)-1-nitro-2-thiophen-2-ylethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride?
The canonical SMILES for 2-chloro-5-[[2-[(Z)-1-nitro-2-thiophen-2-ylethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride is Cl.O=[N+]([O-])/C(=C\c1cccs1)C1=NCCN1Cc1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-[[2-[(Z)-1-nitro-2-thiophen-2-ylethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride?
The InChIKey is HHAPNVOVCDNNAI-MGAWDJABSA-N. The full InChI is InChI=1S/C15H13ClN4O2S.ClH/c16-14-4-3-11(9-18-14)10-19-6-5-17-15(19)13(20(21)22)8-12-2-1-7-23-12;/h1-4,7-9H,5-6,10H2;1H/b13-8-;.
What are the key properties of 2-chloro-5-[[2-[(Z)-1-nitro-2-thiophen-2-ylethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride?
2-chloro-5-[[2-[(Z)-1-nitro-2-thiophen-2-ylethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride has a molecular weight of 385.28 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2-[(Z)-1-nitro-2-thiophen-2-ylethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride is sourced from PubChem (CID 25208380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).