6-[(5-cyclopropyl-2-methoxypyridine-3-carbonyl)amino]-N-(2-methoxyethyl)-2-phenyl-3H-benzimidazole-5-carboxamide

C27H27N5O4 — CID 165414988

IUPAC6-[(5-cyclopropyl-2-methoxypyridine-3-carbonyl)amino]-N-(2-methoxyethyl)-2-phenyl-3H-benzimidazole-5-carboxamide
SMILESCOCCNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1cc(C2CC2)cnc1OC
InChIInChI=1S/C27H27N5O4/c1-35-11-10-28-25(33)19-13-22-23(31-24(30-22)17-6-4-3-5-7-17)14-21(19)32-26(34)20-12-18(16-8-9-16)15-29-27(20)36-2/h3-7,12-16H,8-11H2,1-2H3,(H,28,33)(H,30,31)(H,32,34)
InChIKeyQGLZALMPQACWMR-UHFFFAOYSA-N
MW485.54 g/mol
LogP4.14
Rot. Bonds9

About 6-[(5-cyclopropyl-2-methoxypyridine-3-carbonyl)amino]-N-(2-methoxyethyl)-2-phenyl-3H-benzimidazole-5-carboxamide

6-[(5-cyclopropyl-2-methoxypyridine-3-carbonyl)amino]-N-(2-methoxyethyl)-2-phenyl-3H-benzimidazole-5-carboxamide (PubChem CID 165414988) has the molecular formula C27H27N5O4 and a molecular weight of 485.54 g/mol. Its IUPAC name is 6-[(5-cyclopropyl-2-methoxypyridine-3-carbonyl)amino]-N-(2-methoxyethyl)-2-phenyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name6-[(5-cyclopropyl-2-methoxypyridine-3-carbonyl)amino]-N-(2-methoxyethyl)-2-phenyl-3H-benzimidazole-5-carboxamide
PubChem CID165414988
Molecular FormulaC27H27N5O4
Molecular Weight485.54 g/mol
Exact Mass485.21
IUPAC Name6-[(5-cyclopropyl-2-methoxypyridine-3-carbonyl)amino]-N-(2-methoxyethyl)-2-phenyl-3H-benzimidazole-5-carboxamide
SMILESCOCCNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1cc(C2CC2)cnc1OC
InChIInChI=1S/C27H27N5O4/c1-35-11-10-28-25(33)19-13-22-23(31-24(30-22)17-6-4-3-5-7-17)14-21(19)32-26(34)20-12-18(16-8-9-16)15-29-27(20)36-2/h3-7,12-16H,8-11H2,1-2H3,(H,28,33)(H,30,31)(H,32,34)
InChIKeyQGLZALMPQACWMR-UHFFFAOYSA-N
XLogP4.14
TPSA118.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyclopropyl-2-methoxypyridine-3-carbonyl)amino]-N-(2-methoxyethyl)-2-phenyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 6-[(5-cyclopropyl-2-methoxypyridine-3-carbonyl)amino]-N-(2-methoxyethyl)-2-phenyl-3H-benzimidazole-5-carboxamide (CID 165414988) is 6-[(5-cyclopropyl-2-methoxypyridine-3-carbonyl)amino]-N-(2-methoxyethyl)-2-phenyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 6-[(5-cyclopropyl-2-methoxypyridine-3-carbonyl)amino]-N-(2-methoxyethyl)-2-phenyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 6-[(5-cyclopropyl-2-methoxypyridine-3-carbonyl)amino]-N-(2-methoxyethyl)-2-phenyl-3H-benzimidazole-5-carboxamide is COCCNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1cc(C2CC2)cnc1OC.
What is the InChIKey of 6-[(5-cyclopropyl-2-methoxypyridine-3-carbonyl)amino]-N-(2-methoxyethyl)-2-phenyl-3H-benzimidazole-5-carboxamide?
The InChIKey is QGLZALMPQACWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O4/c1-35-11-10-28-25(33)19-13-22-23(31-24(30-22)17-6-4-3-5-7-17)14-21(19)32-26(34)20-12-18(16-8-9-16)15-29-27(20)36-2/h3-7,12-16H,8-11H2,1-2H3,(H,28,33)(H,30,31)(H,32,34).
What are the key properties of 6-[(5-cyclopropyl-2-methoxypyridine-3-carbonyl)amino]-N-(2-methoxyethyl)-2-phenyl-3H-benzimidazole-5-carboxamide?
6-[(5-cyclopropyl-2-methoxypyridine-3-carbonyl)amino]-N-(2-methoxyethyl)-2-phenyl-3H-benzimidazole-5-carboxamide has a molecular weight of 485.54 g/mol, XLogP of 4.14, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-cyclopropyl-2-methoxypyridine-3-carbonyl)amino]-N-(2-methoxyethyl)-2-phenyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 165414988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).