N-piperidin-4-yl-1-(quinolin-2-ylmethyl)benzimidazol-2-amine;dihydrochloride

C22H25Cl2N5 — CID 22036977

IUPACN-piperidin-4-yl-1-(quinolin-2-ylmethyl)benzimidazol-2-amine;dihydrochloride
SMILESCl.Cl.c1ccc2nc(Cn3c(NC4CCNCC4)nc4ccccc43)ccc2c1
InChIInChI=1S/C22H23N5.2ClH/c1-2-6-19-16(5-1)9-10-18(24-19)15-27-21-8-4-3-7-20(21)26-22(27)25-17-11-13-23-14-12-17;;/h1-10,17,23H,11-15H2,(H,25,26);2*1H
InChIKeyYTYUPAYEZWIDOX-UHFFFAOYSA-N
MW430.38 g/mol
LogP4.64
Rot. Bonds4

About N-piperidin-4-yl-1-(quinolin-2-ylmethyl)benzimidazol-2-amine;dihydrochloride

N-piperidin-4-yl-1-(quinolin-2-ylmethyl)benzimidazol-2-amine;dihydrochloride (PubChem CID 22036977) has the molecular formula C22H25Cl2N5 and a molecular weight of 430.38 g/mol. Its IUPAC name is N-piperidin-4-yl-1-(quinolin-2-ylmethyl)benzimidazol-2-amine;dihydrochloride.

Molecular Properties

Compound NameN-piperidin-4-yl-1-(quinolin-2-ylmethyl)benzimidazol-2-amine;dihydrochloride
PubChem CID22036977
Molecular FormulaC22H25Cl2N5
Molecular Weight430.38 g/mol
Exact Mass429.15
IUPAC NameN-piperidin-4-yl-1-(quinolin-2-ylmethyl)benzimidazol-2-amine;dihydrochloride
SMILESCl.Cl.c1ccc2nc(Cn3c(NC4CCNCC4)nc4ccccc43)ccc2c1
InChIInChI=1S/C22H23N5.2ClH/c1-2-6-19-16(5-1)9-10-18(24-19)15-27-21-8-4-3-7-20(21)26-22(27)25-17-11-13-23-14-12-17;;/h1-10,17,23H,11-15H2,(H,25,26);2*1H
InChIKeyYTYUPAYEZWIDOX-UHFFFAOYSA-N
XLogP4.64
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018629
1-[(4-fluorophenyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018631
N-pyrrolidin-3-yl-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine
CID 15037377
N-piperidin-4-yl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine;hydroiodide
CID 86756598
1-(2-phenoxyethyl)-N-piperidin-4-ylbenzimidazol-2-amine
CID 15718956
1-[(1-benzylimidazol-2-yl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine
CID 140989898
1-[[3-[2-(dimethylamino)ethoxy]-6-methyl-2-pyridinyl]methyl]-N-piperidin-4-ylbenzimidazol-2-amine
CID 142035219
1-[(E)-but-2-enyl]-N-piperidin-4-ylbenzimidazol-2-amine;ethane;3-fluoroprop-1-ene
CID 143187246
4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
CID 71649355
ethyl 4-[2-(piperidin-4-ylamino)benzimidazol-1-yl]butanoate;hydroiodide
CID 86756600
1-(1H-benzimidazol-2-yl)-N-piperidin-4-ylbenzimidazol-2-amine
CID 22037023
N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine
CID 511008

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-1-(quinolin-2-ylmethyl)benzimidazol-2-amine;dihydrochloride?
The IUPAC name of N-piperidin-4-yl-1-(quinolin-2-ylmethyl)benzimidazol-2-amine;dihydrochloride (CID 22036977) is N-piperidin-4-yl-1-(quinolin-2-ylmethyl)benzimidazol-2-amine;dihydrochloride.
What is the SMILES notation for N-piperidin-4-yl-1-(quinolin-2-ylmethyl)benzimidazol-2-amine;dihydrochloride?
The canonical SMILES for N-piperidin-4-yl-1-(quinolin-2-ylmethyl)benzimidazol-2-amine;dihydrochloride is Cl.Cl.c1ccc2nc(Cn3c(NC4CCNCC4)nc4ccccc43)ccc2c1.
What is the InChIKey of N-piperidin-4-yl-1-(quinolin-2-ylmethyl)benzimidazol-2-amine;dihydrochloride?
The InChIKey is YTYUPAYEZWIDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5.2ClH/c1-2-6-19-16(5-1)9-10-18(24-19)15-27-21-8-4-3-7-20(21)26-22(27)25-17-11-13-23-14-12-17;;/h1-10,17,23H,11-15H2,(H,25,26);2*1H.
What are the key properties of N-piperidin-4-yl-1-(quinolin-2-ylmethyl)benzimidazol-2-amine;dihydrochloride?
N-piperidin-4-yl-1-(quinolin-2-ylmethyl)benzimidazol-2-amine;dihydrochloride has a molecular weight of 430.38 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-1-(quinolin-2-ylmethyl)benzimidazol-2-amine;dihydrochloride is sourced from PubChem (CID 22036977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).