N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine

C25H36N6 — CID 22343458

IUPACN-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine
SMILESCc1cccc(Cn2c(NC3CCN(CC(N)C(C)C)CC3)nc3c(C)cccc32)n1
InChIInChI=1S/C25H36N6/c1-17(2)22(26)16-30-13-11-20(12-14-30)28-25-29-24-18(3)7-5-10-23(24)31(25)15-21-9-6-8-19(4)27-21/h5-10,17,20,22H,11-16,26H2,1-4H3,(H,28,29)
InChIKeyOFBUONBWECEBFD-UHFFFAOYSA-N
MW420.61 g/mol
LogP3.96
Rot. Bonds7

About N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine

N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine (PubChem CID 22343458) has the molecular formula C25H36N6 and a molecular weight of 420.61 g/mol. Its IUPAC name is N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine
PubChem CID22343458
Molecular FormulaC25H36N6
Molecular Weight420.61 g/mol
Exact Mass420.30
IUPAC NameN-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine
SMILESCc1cccc(Cn2c(NC3CCN(CC(N)C(C)C)CC3)nc3c(C)cccc32)n1
InChIInChI=1S/C25H36N6/c1-17(2)22(26)16-30-13-11-20(12-14-30)28-25-29-24-18(3)7-5-10-23(24)31(25)15-21-9-6-8-19(4)27-21/h5-10,17,20,22H,11-16,26H2,1-4H3,(H,28,29)
InChIKeyOFBUONBWECEBFD-UHFFFAOYSA-N
XLogP3.96
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.61
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine with MolForge

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Related Compounds

N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine
CID 511008
N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-1-[(3-ethoxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine;hydrate
CID 139939824
N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-1-(isoquinolin-1-ylmethyl)benzimidazol-2-amine;trihydrate;trihydrochloride
CID 22036964
N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-3-(quinolin-8-ylmethyl)imidazo[4,5-c]pyridin-2-amine
CID 69318446
3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propanoic acid
CID 5279716
N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-1-[1-(6-bromo-2-pyridinyl)ethoxymethyl]benzimidazol-2-amine
CID 87587489
6-methyl-2-[[4-methyl-2-[[1-(4-methyl-1,3-dioxetan-2-yl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol
CID 70334343
methyl 2-[2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]acetate
CID 5279734
3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propyl 2-phenylacetate
CID 5279707
[1-methoxy-1-oxo-3-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]propan-2-yl]carbamic acid
CID 22343520
N-[[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512311
N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(2-methyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-amine
CID 22343536

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine?
The IUPAC name of N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine (CID 22343458) is N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine?
The canonical SMILES for N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine is Cc1cccc(Cn2c(NC3CCN(CC(N)C(C)C)CC3)nc3c(C)cccc32)n1.
What is the InChIKey of N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine?
The InChIKey is OFBUONBWECEBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6/c1-17(2)22(26)16-30-13-11-20(12-14-30)28-25-29-24-18(3)7-5-10-23(24)31(25)15-21-9-6-8-19(4)27-21/h5-10,17,20,22H,11-16,26H2,1-4H3,(H,28,29).
What are the key properties of N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine?
N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine has a molecular weight of 420.61 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 22343458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).