6-(chloromethyl)-1-ethyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine

C16H23ClN4 — CID 143063201

IUPAC6-(chloromethyl)-1-ethyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine
SMILESCCn1c(NC2CCN(C)CC2)nc2ccc(CCl)cc21
InChIInChI=1S/C16H23ClN4/c1-3-21-15-10-12(11-17)4-5-14(15)19-16(21)18-13-6-8-20(2)9-7-13/h4-5,10,13H,3,6-9,11H2,1-2H3,(H,18,19)
InChIKeyMUHVNALJWFRACV-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.30
Rot. Bonds4

About 6-(chloromethyl)-1-ethyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine

6-(chloromethyl)-1-ethyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine (PubChem CID 143063201) has the molecular formula C16H23ClN4 and a molecular weight of 306.84 g/mol. Its IUPAC name is 6-(chloromethyl)-1-ethyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-(chloromethyl)-1-ethyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine
PubChem CID143063201
Molecular FormulaC16H23ClN4
Molecular Weight306.84 g/mol
Exact Mass306.16
IUPAC Name6-(chloromethyl)-1-ethyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine
SMILESCCn1c(NC2CCN(C)CC2)nc2ccc(CCl)cc21
InChIInChI=1S/C16H23ClN4/c1-3-21-15-10-12(11-17)4-5-14(15)19-16(21)18-13-6-8-20(2)9-7-13/h4-5,10,13H,3,6-9,11H2,1-2H3,(H,18,19)
InChIKeyMUHVNALJWFRACV-UHFFFAOYSA-N
XLogP3.30
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-ethyl-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-5-yl]methanol
CID 143063195
1-ethyl-N-(1-methylpiperidin-4-yl)-4H-benzimidazol-4-id-2-amine;rubidium(1+)
CID 58665101
1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine
CID 15037387
2-[[6-[[N-(2-hydroxyethyl)-3,5-dimethylanilino]methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 11168530
6-methyl-2-[[2-[(1-methylpiperidin-4-yl)amino]-6-nitrobenzimidazol-1-yl]methyl]pyridin-3-ol
CID 24800321
5-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]furan-3-carboxylic acid
CID 67885256
but-2-enedioic acid;2-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methoxy]ethanol
CID 159801214
1,6-diethyl-N-(3-morpholin-4-ylpropyl)benzimidazol-2-amine
CID 143063274
1-ethyl-4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]tetrazol-5-one
CID 12891603
2-[[6-(3-aminopropyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane
CID 159423862
1-(2-ethoxyethyl)-N-[1-(2-ethoxyethyl)piperidin-4-yl]benzimidazol-2-amine
CID 15718965
ethyl 2-[4-[[6-(2-aminoethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate
CID 70336287

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-1-ethyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine?
The IUPAC name of 6-(chloromethyl)-1-ethyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine (CID 143063201) is 6-(chloromethyl)-1-ethyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine.
What is the SMILES notation for 6-(chloromethyl)-1-ethyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine?
The canonical SMILES for 6-(chloromethyl)-1-ethyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine is CCn1c(NC2CCN(C)CC2)nc2ccc(CCl)cc21.
What is the InChIKey of 6-(chloromethyl)-1-ethyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine?
The InChIKey is MUHVNALJWFRACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4/c1-3-21-15-10-12(11-17)4-5-14(15)19-16(21)18-13-6-8-20(2)9-7-13/h4-5,10,13H,3,6-9,11H2,1-2H3,(H,18,19).
What are the key properties of 6-(chloromethyl)-1-ethyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine?
6-(chloromethyl)-1-ethyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine has a molecular weight of 306.84 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-1-ethyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine is sourced from PubChem (CID 143063201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).