2-imidazol-1-yl-N-[1-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide

C18H22N6O2 — CID 75613538

IUPAC2-imidazol-1-yl-N-[1-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(-n2ccnc2)c1)C1CCC2NC(=O)NC2C1
InChIInChI=1S/C18H22N6O2/c1-11(12-2-3-14-15(8-12)23-18(26)22-14)21-17(25)13-4-5-20-16(9-13)24-7-6-19-10-24/h4-7,9-12,14-15H,2-3,8H2,1H3,(H,21,25)(H2,22,23,26)
InChIKeyZAXMPYWEIHROIS-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.24
Rot. Bonds4

About 2-imidazol-1-yl-N-[1-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide

2-imidazol-1-yl-N-[1-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide (PubChem CID 75613538) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[1-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[1-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide
PubChem CID75613538
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name2-imidazol-1-yl-N-[1-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(-n2ccnc2)c1)C1CCC2NC(=O)NC2C1
InChIInChI=1S/C18H22N6O2/c1-11(12-2-3-14-15(8-12)23-18(26)22-14)21-17(25)13-4-5-20-16(9-13)24-7-6-19-10-24/h4-7,9-12,14-15H,2-3,8H2,1H3,(H,21,25)(H2,22,23,26)
InChIKeyZAXMPYWEIHROIS-UHFFFAOYSA-N
XLogP1.24
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[1-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-N-[1-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide (CID 75613538) is 2-imidazol-1-yl-N-[1-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[1-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-N-[1-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide is CC(NC(=O)c1ccnc(-n2ccnc2)c1)C1CCC2NC(=O)NC2C1.
What is the InChIKey of 2-imidazol-1-yl-N-[1-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is ZAXMPYWEIHROIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-11(12-2-3-14-15(8-12)23-18(26)22-14)21-17(25)13-4-5-20-16(9-13)24-7-6-19-10-24/h4-7,9-12,14-15H,2-3,8H2,1H3,(H,21,25)(H2,22,23,26).
What are the key properties of 2-imidazol-1-yl-N-[1-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide?
2-imidazol-1-yl-N-[1-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[1-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 75613538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).