3-amino-N-[[1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride

C18H27Cl2N5O — CID 120911253

IUPAC3-amino-N-[[1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.Cn1c(CN2CCCCC2CNC(=O)CCN)nc2ccc(Cl)cc21
InChIInChI=1S/C18H26ClN5O.ClH/c1-23-16-10-13(19)5-6-15(16)22-17(23)12-24-9-3-2-4-14(24)11-21-18(25)7-8-20;/h5-6,10,14H,2-4,7-9,11-12,20H2,1H3,(H,21,25);1H
InChIKeyKUSSLWXTPJMTIV-UHFFFAOYSA-N
MW400.35 g/mol
LogP2.47
Rot. Bonds6

About 3-amino-N-[[1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120911253) has the molecular formula C18H27Cl2N5O and a molecular weight of 400.35 g/mol. Its IUPAC name is 3-amino-N-[[1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120911253
Molecular FormulaC18H27Cl2N5O
Molecular Weight400.35 g/mol
Exact Mass399.16
IUPAC Name3-amino-N-[[1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.Cn1c(CN2CCCCC2CNC(=O)CCN)nc2ccc(Cl)cc21
InChIInChI=1S/C18H26ClN5O.ClH/c1-23-16-10-13(19)5-6-15(16)22-17(23)12-24-9-3-2-4-14(24)11-21-18(25)7-8-20;/h5-6,10,14H,2-4,7-9,11-12,20H2,1H3,(H,21,25);1H
InChIKeyKUSSLWXTPJMTIV-UHFFFAOYSA-N
XLogP2.47
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[[1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911593
3-amino-N-[[1-[(3-chloro-2-pyridinyl)methyl]piperidin-2-yl]methyl]propanamide
CID 166247213
3-amino-N-[[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581300
3-amino-N-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120910902
3-amino-N-[[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120581429
3-amino-N-[[1-(naphthalen-2-ylmethyl)piperidin-2-yl]methyl]propanamide
CID 120581409
3-amino-N-[[1-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911373
3-amino-N-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-2-yl]methyl]propanamide
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3-amino-N-[[1-[(2-bromophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581348
3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911439
[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 110921376
3-amino-N-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120967146

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120911253) is 3-amino-N-[[1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride is Cl.Cn1c(CN2CCCCC2CNC(=O)CCN)nc2ccc(Cl)cc21.
What is the InChIKey of 3-amino-N-[[1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is KUSSLWXTPJMTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN5O.ClH/c1-23-16-10-13(19)5-6-15(16)22-17(23)12-24-9-3-2-4-14(24)11-21-18(25)7-8-20;/h5-6,10,14H,2-4,7-9,11-12,20H2,1H3,(H,21,25);1H.
What are the key properties of 3-amino-N-[[1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 400.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120911253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).