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

C21H22N8 — CID 129245693

IUPACN-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-pyrimidin-5-yl-1H-benzimidazol-2-amine
SMILESc1ncc(-c2ccc3nc(Nc4cc(CN5CCNCC5)ccn4)[nH]c3c2)cn1
InChIInChI=1S/C21H22N8/c1-2-18-19(10-16(1)17-11-23-14-24-12-17)27-21(26-18)28-20-9-15(3-4-25-20)13-29-7-5-22-6-8-29/h1-4,9-12,14,22H,5-8,13H2,(H2,25,26,27,28)
InChIKeyUHQJNYPFUGFHGX-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.56
Rot. Bonds5

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

N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-pyrimidin-5-yl-1H-benzimidazol-2-amine (PubChem CID 129245693) has the molecular formula C21H22N8 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-pyrimidin-5-yl-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-pyrimidin-5-yl-1H-benzimidazol-2-amine
PubChem CID129245693
Molecular FormulaC21H22N8
Molecular Weight386.46 g/mol
Exact Mass386.20
IUPAC NameN-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-pyrimidin-5-yl-1H-benzimidazol-2-amine
SMILESc1ncc(-c2ccc3nc(Nc4cc(CN5CCNCC5)ccn4)[nH]c3c2)cn1
InChIInChI=1S/C21H22N8/c1-2-18-19(10-16(1)17-11-23-14-24-12-17)27-21(26-18)28-20-9-15(3-4-25-20)13-29-7-5-22-6-8-29/h1-4,9-12,14,22H,5-8,13H2,(H2,25,26,27,28)
InChIKeyUHQJNYPFUGFHGX-UHFFFAOYSA-N
XLogP2.56
TPSA94.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-(1H-pyrazol-5-yl)-1H-benzimidazol-2-amine
CID 129245695
6-[2-(difluoromethyl)-4-pyridinyl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
CID 129261353
6-(2-methoxy-4-pyridinyl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
CID 129245857
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-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
CID 129245878
6-(6-ethylpyrimidin-4-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
CID 129245958
6-(1-methylpyrazol-3-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride
CID 129245570
6-[1-(cyclobutylmethyl)pyrazol-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
CID 129245819
N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1H-benzimidazol-2-amine;hydrochloride
CID 137479164
6-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
CID 129261284
6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
CID 129245837

Frequently Asked Questions

What is the IUPAC name of N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-pyrimidin-5-yl-1H-benzimidazol-2-amine?
The IUPAC name of N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-pyrimidin-5-yl-1H-benzimidazol-2-amine (CID 129245693) is N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-pyrimidin-5-yl-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-pyrimidin-5-yl-1H-benzimidazol-2-amine?
The canonical SMILES for N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-pyrimidin-5-yl-1H-benzimidazol-2-amine is c1ncc(-c2ccc3nc(Nc4cc(CN5CCNCC5)ccn4)[nH]c3c2)cn1.
What is the InChIKey of N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-pyrimidin-5-yl-1H-benzimidazol-2-amine?
The InChIKey is UHQJNYPFUGFHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8/c1-2-18-19(10-16(1)17-11-23-14-24-12-17)27-21(26-18)28-20-9-15(3-4-25-20)13-29-7-5-22-6-8-29/h1-4,9-12,14,22H,5-8,13H2,(H2,25,26,27,28).
What are the key properties of N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-pyrimidin-5-yl-1H-benzimidazol-2-amine?
N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-pyrimidin-5-yl-1H-benzimidazol-2-amine has a molecular weight of 386.46 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-pyrimidin-5-yl-1H-benzimidazol-2-amine is sourced from PubChem (CID 129245693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).