2-(chloromethyl)-1-[(3-ethyl-2-pyridinyl)methyl]benzimidazole

C16H16ClN3 — CID 82742020

IUPAC2-(chloromethyl)-1-[(3-ethyl-2-pyridinyl)methyl]benzimidazole
SMILESCCc1cccnc1Cn1c(CCl)nc2ccccc21
InChIInChI=1S/C16H16ClN3/c1-2-12-6-5-9-18-14(12)11-20-15-8-4-3-7-13(15)19-16(20)10-17/h3-9H,2,10-11H2,1H3
InChIKeyIKTJUOKBSPCHNQ-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.78
Rot. Bonds4

About 2-(chloromethyl)-1-[(3-ethyl-2-pyridinyl)methyl]benzimidazole

2-(chloromethyl)-1-[(3-ethyl-2-pyridinyl)methyl]benzimidazole (PubChem CID 82742020) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[(3-ethyl-2-pyridinyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-[(3-ethyl-2-pyridinyl)methyl]benzimidazole
PubChem CID82742020
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name2-(chloromethyl)-1-[(3-ethyl-2-pyridinyl)methyl]benzimidazole
SMILESCCc1cccnc1Cn1c(CCl)nc2ccccc21
InChIInChI=1S/C16H16ClN3/c1-2-12-6-5-9-18-14(12)11-20-15-8-4-3-7-13(15)19-16(20)10-17/h3-9H,2,10-11H2,1H3
InChIKeyIKTJUOKBSPCHNQ-UHFFFAOYSA-N
XLogP3.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-3-[(3-ethyl-2-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 82741938
2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 29075827
3-[(2-ethylbenzimidazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 63107308
6-bromo-2-(chloromethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
CID 65346157
1-[(2-methoxy-3-pyridinyl)methyl]-2-propylbenzimidazole
CID 116627019
2-[1-[(3-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]ethanethioamide
CID 115982441
5-[[2-(chloromethyl)benzimidazol-1-yl]methyl]-1,2-oxazole
CID 106420447
2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole
CID 116626997
2-(chloromethyl)-1-[(4-methylsulfanylphenyl)methyl]benzimidazole
CID 142101817
2-methyl-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
CID 112651453
2-[(1-ethylbenzimidazol-2-yl)methyl]pyridin-3-ol
CID 83129846
3-[[2-(chloromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 106406922

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[(3-ethyl-2-pyridinyl)methyl]benzimidazole?
The IUPAC name of 2-(chloromethyl)-1-[(3-ethyl-2-pyridinyl)methyl]benzimidazole (CID 82742020) is 2-(chloromethyl)-1-[(3-ethyl-2-pyridinyl)methyl]benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-[(3-ethyl-2-pyridinyl)methyl]benzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-[(3-ethyl-2-pyridinyl)methyl]benzimidazole is CCc1cccnc1Cn1c(CCl)nc2ccccc21.
What is the InChIKey of 2-(chloromethyl)-1-[(3-ethyl-2-pyridinyl)methyl]benzimidazole?
The InChIKey is IKTJUOKBSPCHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-2-12-6-5-9-18-14(12)11-20-15-8-4-3-7-13(15)19-16(20)10-17/h3-9H,2,10-11H2,1H3.
What are the key properties of 2-(chloromethyl)-1-[(3-ethyl-2-pyridinyl)methyl]benzimidazole?
2-(chloromethyl)-1-[(3-ethyl-2-pyridinyl)methyl]benzimidazole has a molecular weight of 285.78 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[(3-ethyl-2-pyridinyl)methyl]benzimidazole is sourced from PubChem (CID 82742020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).