N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine

C21H28N6 — CID 511008

IUPACN-[1-(2-aminoethyl)piperidin-4-yl]-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine
SMILESCc1cccc(Cn2c(NC3CCN(CCN)CC3)nc3ccccc32)n1
InChIInChI=1S/C21H28N6/c1-16-5-4-6-18(23-16)15-27-20-8-3-2-7-19(20)25-21(27)24-17-9-12-26(13-10-17)14-11-22/h2-8,17H,9-15,22H2,1H3,(H,24,25)
InChIKeyXUSSPLSTDRYEJG-UHFFFAOYSA-N
MW364.50 g/mol
LogP2.62
Rot. Bonds6

About N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine

N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine (PubChem CID 511008) has the molecular formula C21H28N6 and a molecular weight of 364.50 g/mol. Its IUPAC name is N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(2-aminoethyl)piperidin-4-yl]-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine
PubChem CID511008
Molecular FormulaC21H28N6
Molecular Weight364.50 g/mol
Exact Mass364.24
IUPAC NameN-[1-(2-aminoethyl)piperidin-4-yl]-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine
SMILESCc1cccc(Cn2c(NC3CCN(CCN)CC3)nc3ccccc32)n1
InChIInChI=1S/C21H28N6/c1-16-5-4-6-18(23-16)15-27-20-8-3-2-7-19(20)25-21(27)24-17-9-12-26(13-10-17)14-11-22/h2-8,17H,9-15,22H2,1H3,(H,24,25)
InChIKeyXUSSPLSTDRYEJG-UHFFFAOYSA-N
XLogP2.62
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(2-methyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-amine
CID 22343536
N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-amine
CID 22343470
N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
CID 22343514
N-[1-(3-aminopropyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 12891742
N-[1-(4-aminobutyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine;trihydrochloride
CID 156621011
N-[1-(2-aminoethyl)piperidin-4-yl]-1-[1-(6-bromo-2-pyridinyl)ethoxymethyl]benzimidazol-2-amine
CID 22711790
N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine
CID 22343458
2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethylurea
CID 156649814
1-(2-ethoxyethyl)-N-[1-(2-ethoxyethyl)piperidin-4-yl]benzimidazol-2-amine
CID 15718965
N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(6-methyl-2-pyridinyl)-(2-phenylmethoxyethoxy)methyl]benzimidazol-2-amine
CID 68821853
[1-methoxy-1-oxo-3-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]propan-2-yl]carbamic acid
CID 22343520
1-[(6-methyl-2-pyridinyl)methyl]-2-(piperidin-4-ylmethyl)benzimidazole
CID 20819849

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine?
The IUPAC name of N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine (CID 511008) is N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine?
The canonical SMILES for N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine is Cc1cccc(Cn2c(NC3CCN(CCN)CC3)nc3ccccc32)n1.
What is the InChIKey of N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine?
The InChIKey is XUSSPLSTDRYEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6/c1-16-5-4-6-18(23-16)15-27-20-8-3-2-7-19(20)25-21(27)24-17-9-12-26(13-10-17)14-11-22/h2-8,17H,9-15,22H2,1H3,(H,24,25).
What are the key properties of N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine?
N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine has a molecular weight of 364.50 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 511008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).