1-[2-(methylamino)ethyl]-2-piperidin-4-ylbenzimidazole-5-carboxamide

C16H23N5O — CID 127052080

IUPAC1-[2-(methylamino)ethyl]-2-piperidin-4-ylbenzimidazole-5-carboxamide
SMILESCNCCn1c(C2CCNCC2)nc2cc(C(N)=O)ccc21
InChIInChI=1S/C16H23N5O/c1-18-8-9-21-14-3-2-12(15(17)22)10-13(14)20-16(21)11-4-6-19-7-5-11/h2-3,10-11,18-19H,4-9H2,1H3,(H2,17,22)
InChIKeyQLSPDZMEKDDYAE-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.82
Rot. Bonds5

About 1-[2-(methylamino)ethyl]-2-piperidin-4-ylbenzimidazole-5-carboxamide

1-[2-(methylamino)ethyl]-2-piperidin-4-ylbenzimidazole-5-carboxamide (PubChem CID 127052080) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[2-(methylamino)ethyl]-2-piperidin-4-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[2-(methylamino)ethyl]-2-piperidin-4-ylbenzimidazole-5-carboxamide
PubChem CID127052080
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name1-[2-(methylamino)ethyl]-2-piperidin-4-ylbenzimidazole-5-carboxamide
SMILESCNCCn1c(C2CCNCC2)nc2cc(C(N)=O)ccc21
InChIInChI=1S/C16H23N5O/c1-18-8-9-21-14-3-2-12(15(17)22)10-13(14)20-16(21)11-4-6-19-7-5-11/h2-3,10-11,18-19H,4-9H2,1H3,(H2,17,22)
InChIKeyQLSPDZMEKDDYAE-UHFFFAOYSA-N
XLogP0.82
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)ethyl]-2-piperidin-4-ylbenzimidazole-5-carboxamide?
The IUPAC name of 1-[2-(methylamino)ethyl]-2-piperidin-4-ylbenzimidazole-5-carboxamide (CID 127052080) is 1-[2-(methylamino)ethyl]-2-piperidin-4-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-[2-(methylamino)ethyl]-2-piperidin-4-ylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-[2-(methylamino)ethyl]-2-piperidin-4-ylbenzimidazole-5-carboxamide is CNCCn1c(C2CCNCC2)nc2cc(C(N)=O)ccc21.
What is the InChIKey of 1-[2-(methylamino)ethyl]-2-piperidin-4-ylbenzimidazole-5-carboxamide?
The InChIKey is QLSPDZMEKDDYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-18-8-9-21-14-3-2-12(15(17)22)10-13(14)20-16(21)11-4-6-19-7-5-11/h2-3,10-11,18-19H,4-9H2,1H3,(H2,17,22).
What are the key properties of 1-[2-(methylamino)ethyl]-2-piperidin-4-ylbenzimidazole-5-carboxamide?
1-[2-(methylamino)ethyl]-2-piperidin-4-ylbenzimidazole-5-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)ethyl]-2-piperidin-4-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 127052080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).