2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-benzimidazole-4-carboxamide

C16H22N6O — CID 18428097

IUPAC2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cc(N2CCCC2)cc2[nH]c(N3CCNCC3)nc12
InChIInChI=1S/C16H22N6O/c17-15(23)12-9-11(21-5-1-2-6-21)10-13-14(12)20-16(19-13)22-7-3-18-4-8-22/h9-10,18H,1-8H2,(H2,17,23)(H,19,20)
InChIKeyNUSOXEGAZGZWKS-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.67
Rot. Bonds3

About 2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-benzimidazole-4-carboxamide

2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-benzimidazole-4-carboxamide (PubChem CID 18428097) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-benzimidazole-4-carboxamide
PubChem CID18428097
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cc(N2CCCC2)cc2[nH]c(N3CCNCC3)nc12
InChIInChI=1S/C16H22N6O/c17-15(23)12-9-11(21-5-1-2-6-21)10-13-14(12)20-16(19-13)22-7-3-18-4-8-22/h9-10,18H,1-8H2,(H2,17,23)(H,19,20)
InChIKeyNUSOXEGAZGZWKS-UHFFFAOYSA-N
XLogP0.67
TPSA90.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-benzimidazole-4-carboxamide (CID 18428097) is 2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-benzimidazole-4-carboxamide is NC(=O)c1cc(N2CCCC2)cc2[nH]c(N3CCNCC3)nc12.
What is the InChIKey of 2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is NUSOXEGAZGZWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c17-15(23)12-9-11(21-5-1-2-6-21)10-13-14(12)20-16(19-13)22-7-3-18-4-8-22/h9-10,18H,1-8H2,(H2,17,23)(H,19,20).
What are the key properties of 2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-benzimidazole-4-carboxamide?
2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 18428097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).