N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-(1H-pyrazol-5-yl)-1H-benzimidazol-2-amine

C20H22N8 — CID 129245695

IUPACN-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-(1H-pyrazol-5-yl)-1H-benzimidazol-2-amine
SMILESc1cc(-c2ccc3nc(Nc4cc(CN5CCNCC5)ccn4)[nH]c3c2)[nH]n1
InChIInChI=1S/C20H22N8/c1-2-17-18(12-15(1)16-4-6-23-27-16)25-20(24-17)26-19-11-14(3-5-22-19)13-28-9-7-21-8-10-28/h1-6,11-12,21H,7-10,13H2,(H,23,27)(H2,22,24,25,26)
InChIKeyNWEFXYGZPCZLJT-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.50
Rot. Bonds5

About N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-(1H-pyrazol-5-yl)-1H-benzimidazol-2-amine

N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-(1H-pyrazol-5-yl)-1H-benzimidazol-2-amine (PubChem CID 129245695) has the molecular formula C20H22N8 and a molecular weight of 374.45 g/mol. Its IUPAC name is N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-(1H-pyrazol-5-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-(1H-pyrazol-5-yl)-1H-benzimidazol-2-amine
PubChem CID129245695
Molecular FormulaC20H22N8
Molecular Weight374.45 g/mol
Exact Mass374.20
IUPAC NameN-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-(1H-pyrazol-5-yl)-1H-benzimidazol-2-amine
SMILESc1cc(-c2ccc3nc(Nc4cc(CN5CCNCC5)ccn4)[nH]c3c2)[nH]n1
InChIInChI=1S/C20H22N8/c1-2-17-18(12-15(1)16-4-6-23-27-16)25-20(24-17)26-19-11-14(3-5-22-19)13-28-9-7-21-8-10-28/h1-6,11-12,21H,7-10,13H2,(H,23,27)(H2,22,24,25,26)
InChIKeyNWEFXYGZPCZLJT-UHFFFAOYSA-N
XLogP2.50
TPSA97.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-(1H-pyrazol-5-yl)-1H-benzimidazol-2-amine with MolForge

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Related Compounds

N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-pyrimidin-5-yl-1H-benzimidazol-2-amine
CID 129245693
6-(1-methylpyrazol-3-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride
CID 129245570
6-(2-methoxy-4-pyridinyl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
CID 129245857
6-[2-(difluoromethyl)-4-pyridinyl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
CID 129261353
6-(6-ethylpyrimidin-4-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
CID 129245958
N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1H-benzimidazol-2-amine;hydrochloride
CID 137479164
6-(3-chloro-5-fluoro-4-pyridinyl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
CID 129261348
N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-benzimidazol-2-amine;hydrochloride
CID 129245719
6-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
CID 129261284
6-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
CID 129245878
6-[1-(cyclobutylmethyl)pyrazol-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
CID 129245819
6-[6-(cyclobutylmethoxy)pyrimidin-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride
CID 137479190

Frequently Asked Questions

What is the IUPAC name of N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-(1H-pyrazol-5-yl)-1H-benzimidazol-2-amine?
The IUPAC name of N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-(1H-pyrazol-5-yl)-1H-benzimidazol-2-amine (CID 129245695) is N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-(1H-pyrazol-5-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-(1H-pyrazol-5-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-(1H-pyrazol-5-yl)-1H-benzimidazol-2-amine is c1cc(-c2ccc3nc(Nc4cc(CN5CCNCC5)ccn4)[nH]c3c2)[nH]n1.
What is the InChIKey of N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-(1H-pyrazol-5-yl)-1H-benzimidazol-2-amine?
The InChIKey is NWEFXYGZPCZLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8/c1-2-17-18(12-15(1)16-4-6-23-27-16)25-20(24-17)26-19-11-14(3-5-22-19)13-28-9-7-21-8-10-28/h1-6,11-12,21H,7-10,13H2,(H,23,27)(H2,22,24,25,26).
What are the key properties of N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-(1H-pyrazol-5-yl)-1H-benzimidazol-2-amine?
N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-(1H-pyrazol-5-yl)-1H-benzimidazol-2-amine has a molecular weight of 374.45 g/mol, XLogP of 2.50, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-(1H-pyrazol-5-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 129245695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).