2-(methoxymethyl)-3-methyl-6-[(2-phenylacetyl)amino]-N-(3-pyridin-3-yloxypropyl)benzimidazole-4-carboxamide

C27H29N5O4 — CID 42277682

IUPAC2-(methoxymethyl)-3-methyl-6-[(2-phenylacetyl)amino]-N-(3-pyridin-3-yloxypropyl)benzimidazole-4-carboxamide
SMILESCOCc1nc2cc(NC(=O)Cc3ccccc3)cc(C(=O)NCCCOc3cccnc3)c2n1C
InChIInChI=1S/C27H29N5O4/c1-32-24(18-35-2)31-23-16-20(30-25(33)14-19-8-4-3-5-9-19)15-22(26(23)32)27(34)29-12-7-13-36-21-10-6-11-28-17-21/h3-6,8-11,15-17H,7,12-14,18H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyZJKOJLCEEUKXQD-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.49
Rot. Bonds11

About 2-(methoxymethyl)-3-methyl-6-[(2-phenylacetyl)amino]-N-(3-pyridin-3-yloxypropyl)benzimidazole-4-carboxamide

2-(methoxymethyl)-3-methyl-6-[(2-phenylacetyl)amino]-N-(3-pyridin-3-yloxypropyl)benzimidazole-4-carboxamide (PubChem CID 42277682) has the molecular formula C27H29N5O4 and a molecular weight of 487.56 g/mol. Its IUPAC name is 2-(methoxymethyl)-3-methyl-6-[(2-phenylacetyl)amino]-N-(3-pyridin-3-yloxypropyl)benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-3-methyl-6-[(2-phenylacetyl)amino]-N-(3-pyridin-3-yloxypropyl)benzimidazole-4-carboxamide
PubChem CID42277682
Molecular FormulaC27H29N5O4
Molecular Weight487.56 g/mol
Exact Mass487.22
IUPAC Name2-(methoxymethyl)-3-methyl-6-[(2-phenylacetyl)amino]-N-(3-pyridin-3-yloxypropyl)benzimidazole-4-carboxamide
SMILESCOCc1nc2cc(NC(=O)Cc3ccccc3)cc(C(=O)NCCCOc3cccnc3)c2n1C
InChIInChI=1S/C27H29N5O4/c1-32-24(18-35-2)31-23-16-20(30-25(33)14-19-8-4-3-5-9-19)15-22(26(23)32)27(34)29-12-7-13-36-21-10-6-11-28-17-21/h3-6,8-11,15-17H,7,12-14,18H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyZJKOJLCEEUKXQD-UHFFFAOYSA-N
XLogP3.49
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(methoxymethyl)-3-methyl-6-[(2-phenylacetyl)amino]-N-(3-pyridin-3-yloxypropyl)benzimidazole-4-carboxamide with MolForge

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Related Compounds

N-butyl-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide
CID 42405347
3-benzyl-N-(3-methoxypropyl)-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carboxamide
CID 42379624
2-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-6-(propanoylamino)benzimidazole-4-carboxamide
CID 42483495
1-benzyl-N-(3-methoxypropyl)-3-pyridin-3-ylpyrazole-4-carboxamide
CID 17435310
6-acetamido-2-ethyl-3-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzimidazole-4-carboxamide
CID 42479645
N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 27556068
1-methyl-5-oxo-N-(3-pyridin-3-yloxypropyl)-4H-1,2,4-triazole-3-carboxamide
CID 156584225
7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(3-pyridin-3-ylpropyl)benzimidazole-5-carboxamide
CID 42482087
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
N-(2-phenoxyethyl)-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide
CID 117090736
2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide
CID 110400247
2-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrimidine-4-carboxamide
CID 119067728

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3-methyl-6-[(2-phenylacetyl)amino]-N-(3-pyridin-3-yloxypropyl)benzimidazole-4-carboxamide?
The IUPAC name of 2-(methoxymethyl)-3-methyl-6-[(2-phenylacetyl)amino]-N-(3-pyridin-3-yloxypropyl)benzimidazole-4-carboxamide (CID 42277682) is 2-(methoxymethyl)-3-methyl-6-[(2-phenylacetyl)amino]-N-(3-pyridin-3-yloxypropyl)benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(methoxymethyl)-3-methyl-6-[(2-phenylacetyl)amino]-N-(3-pyridin-3-yloxypropyl)benzimidazole-4-carboxamide?
The canonical SMILES for 2-(methoxymethyl)-3-methyl-6-[(2-phenylacetyl)amino]-N-(3-pyridin-3-yloxypropyl)benzimidazole-4-carboxamide is COCc1nc2cc(NC(=O)Cc3ccccc3)cc(C(=O)NCCCOc3cccnc3)c2n1C.
What is the InChIKey of 2-(methoxymethyl)-3-methyl-6-[(2-phenylacetyl)amino]-N-(3-pyridin-3-yloxypropyl)benzimidazole-4-carboxamide?
The InChIKey is ZJKOJLCEEUKXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4/c1-32-24(18-35-2)31-23-16-20(30-25(33)14-19-8-4-3-5-9-19)15-22(26(23)32)27(34)29-12-7-13-36-21-10-6-11-28-17-21/h3-6,8-11,15-17H,7,12-14,18H2,1-2H3,(H,29,34)(H,30,33).
What are the key properties of 2-(methoxymethyl)-3-methyl-6-[(2-phenylacetyl)amino]-N-(3-pyridin-3-yloxypropyl)benzimidazole-4-carboxamide?
2-(methoxymethyl)-3-methyl-6-[(2-phenylacetyl)amino]-N-(3-pyridin-3-yloxypropyl)benzimidazole-4-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 3.49, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3-methyl-6-[(2-phenylacetyl)amino]-N-(3-pyridin-3-yloxypropyl)benzimidazole-4-carboxamide is sourced from PubChem (CID 42277682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).