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

C20H21N3O2 — CID 92746448

IUPAC(3S)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)[C@H]2CCn3c(nc4ccccc43)C2)cc1
InChIInChI=1S/C20H21N3O2/c1-25-16-8-6-14(7-9-16)13-21-20(24)15-10-11-23-18-5-3-2-4-17(18)22-19(23)12-15/h2-9,15H,10-13H2,1H3,(H,21,24)/t15-/m0/s1
InChIKeyICBAJPLAVBFYKX-HNNXBMFYSA-N
MW335.41 g/mol
LogP2.92
Rot. Bonds4

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

(3S)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide (PubChem CID 92746448) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (3S)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
PubChem CID92746448
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(3S)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)[C@H]2CCn3c(nc4ccccc43)C2)cc1
InChIInChI=1S/C20H21N3O2/c1-25-16-8-6-14(7-9-16)13-21-20(24)15-10-11-23-18-5-3-2-4-17(18)22-19(23)12-15/h2-9,15H,10-13H2,1H3,(H,21,24)/t15-/m0/s1
InChIKeyICBAJPLAVBFYKX-HNNXBMFYSA-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

N-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
CID 46320637
(3R)-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
CID 92746433
(3S)-N-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
CID 92746504
N-[(4-fluorophenyl)methyl]-1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 55837397
(2S)-N-[(4-methoxyphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide
CID 125123416
N-[(4-methoxyphenyl)methyl]-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 41201070
1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 25246790
(3S)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 124799226
N-[(4-methoxyphenyl)methyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145605
1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 131894163
methyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate
CID 10882206
N-[2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 17030548

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide?
The IUPAC name of (3S)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide (CID 92746448) is (3S)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide.
What is the SMILES notation for (3S)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide?
The canonical SMILES for (3S)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide is COc1ccc(CNC(=O)[C@H]2CCn3c(nc4ccccc43)C2)cc1.
What is the InChIKey of (3S)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide?
The InChIKey is ICBAJPLAVBFYKX-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-25-16-8-6-14(7-9-16)13-21-20(24)15-10-11-23-18-5-3-2-4-17(18)22-19(23)12-15/h2-9,15H,10-13H2,1H3,(H,21,24)/t15-/m0/s1.
What are the key properties of (3S)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide?
(3S)-N-[(4-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 (3S)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 92746448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).