4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-4-amine

C17H26N6 — CID 59279365

IUPAC4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-4-amine
SMILESCN1CCN(c2ccc3nc(C4(N)CCNCC4)[nH]c3c2)CC1
InChIInChI=1S/C17H26N6/c1-22-8-10-23(11-9-22)13-2-3-14-15(12-13)21-16(20-14)17(18)4-6-19-7-5-17/h2-3,12,19H,4-11,18H2,1H3,(H,20,21)
InChIKeyMOFWKAVGMQNYPN-UHFFFAOYSA-N
MW314.44 g/mol
LogP0.85
Rot. Bonds2

About 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-4-amine

4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-4-amine (PubChem CID 59279365) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-4-amine
PubChem CID59279365
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-4-amine
SMILESCN1CCN(c2ccc3nc(C4(N)CCNCC4)[nH]c3c2)CC1
InChIInChI=1S/C17H26N6/c1-22-8-10-23(11-9-22)13-2-3-14-15(12-13)21-16(20-14)17(18)4-6-19-7-5-17/h2-3,12,19H,4-11,18H2,1H3,(H,20,21)
InChIKeyMOFWKAVGMQNYPN-UHFFFAOYSA-N
XLogP0.85
TPSA73.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-piperazin-1-yl-1H-benzimidazole
CID 20580687
6-(4-methylpiperazin-1-yl)-1H-benzimidazole-2-sulfonic acid
CID 87680464
[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-phenylmethanone
CID 45488171
4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline
CID 163663064
9-methyl-3,6-bis[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]carbazole
CID 102218320
1-(6-bromo-1H-benzimidazol-2-yl)cyclobutan-1-amine
CID 81161162
4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 67319772
2-(3,4-dimethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole;trihydrochloride
CID 131704506
1-(6-chloro-1H-benzimidazol-2-yl)cyclohexan-1-amine
CID 61292154
1-(6-chloro-1H-benzimidazol-2-yl)cycloheptan-1-amine
CID 61291416
4-amino-5-fluoro-4-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydroquinolin-2-one
CID 146232311
4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2,1,3-benzoxadiazole
CID 59785439

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-4-amine?
The IUPAC name of 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-4-amine (CID 59279365) is 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-4-amine.
What is the SMILES notation for 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-4-amine?
The canonical SMILES for 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-4-amine is CN1CCN(c2ccc3nc(C4(N)CCNCC4)[nH]c3c2)CC1.
What is the InChIKey of 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-4-amine?
The InChIKey is MOFWKAVGMQNYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-22-8-10-23(11-9-22)13-2-3-14-15(12-13)21-16(20-14)17(18)4-6-19-7-5-17/h2-3,12,19H,4-11,18H2,1H3,(H,20,21).
What are the key properties of 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-4-amine?
4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-4-amine has a molecular weight of 314.44 g/mol, XLogP of 0.85, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-4-amine is sourced from PubChem (CID 59279365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).