N-[2-(furan-2-yl)ethyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide

C18H19N3O2 — CID 22579491

IUPACN-[2-(furan-2-yl)ethyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
SMILESO=C(NCCc1ccco1)c1ccc2c(c1)nc1n2CCCC1
InChIInChI=1S/C18H19N3O2/c22-18(19-9-8-14-4-3-11-23-14)13-6-7-16-15(12-13)20-17-5-1-2-10-21(16)17/h3-4,6-7,11-12H,1-2,5,8-10H2,(H,19,22)
InChIKeyROTBMUQTCFTQCK-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.94
Rot. Bonds4

About N-[2-(furan-2-yl)ethyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide

N-[2-(furan-2-yl)ethyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide (PubChem CID 22579491) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
PubChem CID22579491
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[2-(furan-2-yl)ethyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
SMILESO=C(NCCc1ccco1)c1ccc2c(c1)nc1n2CCCC1
InChIInChI=1S/C18H19N3O2/c22-18(19-9-8-14-4-3-11-23-14)13-6-7-16-15(12-13)20-17-5-1-2-10-21(16)17/h3-4,6-7,11-12H,1-2,5,8-10H2,(H,19,22)
InChIKeyROTBMUQTCFTQCK-UHFFFAOYSA-N
XLogP2.94
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(furan-2-yl)ethyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 667146
CID 667146
CID 3474778
CID 3474778
CID 44561533
CID 44561533
CID 10292240
CID 10292240
CID 11501187
CID 11501187
CID 11524997
CID 11524997
CID 3164555
CID 3164555
CID 44432966
CID 44432966
CID 25957
CID 25957
CID 4287729
CID 4287729
CID 24863434
CID 24863434
CID 44561005
CID 44561005

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide (CID 22579491) is N-[2-(furan-2-yl)ethyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide is O=C(NCCc1ccco1)c1ccc2c(c1)nc1n2CCCC1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide?
The InChIKey is ROTBMUQTCFTQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-18(19-9-8-14-4-3-11-23-14)13-6-7-16-15(12-13)20-17-5-1-2-10-21(16)17/h3-4,6-7,11-12H,1-2,5,8-10H2,(H,19,22).
What are the key properties of N-[2-(furan-2-yl)ethyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide?
N-[2-(furan-2-yl)ethyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide is sourced from PubChem (CID 22579491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).