N-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide

C20H21N3O2 — CID 46320637

IUPACN-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCn3c(nc4ccccc43)C2)c1
InChIInChI=1S/C20H21N3O2/c1-25-16-6-4-5-14(11-16)13-21-20(24)15-9-10-23-18-8-3-2-7-17(18)22-19(23)12-15/h2-8,11,15H,9-10,12-13H2,1H3,(H,21,24)
InChIKeyPEDBWEGDBIQMNY-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.92
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide

N-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide (PubChem CID 46320637) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
PubChem CID46320637
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCn3c(nc4ccccc43)C2)c1
InChIInChI=1S/C20H21N3O2/c1-25-16-6-4-5-14(11-16)13-21-20(24)15-9-10-23-18-8-3-2-7-17(18)22-19(23)12-15/h2-8,11,15H,9-10,12-13H2,1H3,(H,21,24)
InChIKeyPEDBWEGDBIQMNY-UHFFFAOYSA-N
XLogP2.92
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
CID 92746448
(3S)-N-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
CID 92746504
(3R)-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
CID 92746433
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 30444897
N-[(3-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985796
N-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 5123401
N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 47067999
N-[(3-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
CID 50781083
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43917846
N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 7711248
1-[(3-methoxyphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917843
N-[(3-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284778

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide (CID 46320637) is N-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide is COc1cccc(CNC(=O)C2CCn3c(nc4ccccc43)C2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide?
The InChIKey is PEDBWEGDBIQMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-25-16-6-4-5-14(11-16)13-21-20(24)15-9-10-23-18-8-3-2-7-17(18)22-19(23)12-15/h2-8,11,15H,9-10,12-13H2,1H3,(H,21,24).
What are the key properties of N-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide?
N-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 46320637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).