2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide

C18H20N6O — CID 121385112

IUPAC2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide
SMILESCc1cccnc1N1CCN(c2nc3c(C(N)=O)cccc3[nH]2)CC1
InChIInChI=1S/C18H20N6O/c1-12-4-3-7-20-17(12)23-8-10-24(11-9-23)18-21-14-6-2-5-13(16(19)25)15(14)22-18/h2-7H,8-11H2,1H3,(H2,19,25)(H,21,22)
InChIKeyXVROAJZCADXQKG-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.69
Rot. Bonds3

About 2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide

2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 121385112) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide
PubChem CID121385112
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide
SMILESCc1cccnc1N1CCN(c2nc3c(C(N)=O)cccc3[nH]2)CC1
InChIInChI=1S/C18H20N6O/c1-12-4-3-7-20-17(12)23-8-10-24(11-9-23)18-21-14-6-2-5-13(16(19)25)15(14)22-18/h2-7H,8-11H2,1H3,(H2,19,25)(H,21,22)
InChIKeyXVROAJZCADXQKG-UHFFFAOYSA-N
XLogP1.69
TPSA91.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide (CID 121385112) is 2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide is Cc1cccnc1N1CCN(c2nc3c(C(N)=O)cccc3[nH]2)CC1.
What is the InChIKey of 2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is XVROAJZCADXQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-12-4-3-7-20-17(12)23-8-10-24(11-9-23)18-21-14-6-2-5-13(16(19)25)15(14)22-18/h2-7H,8-11H2,1H3,(H2,19,25)(H,21,22).
What are the key properties of 2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide?
2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 121385112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).