N-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide

C18H18N4O2 — CID 2569844

IUPACN-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C18H18N4O2/c23-18(13-5-6-14-16(11-13)20-12-19-14)21-15-3-1-2-4-17(15)22-7-9-24-10-8-22/h1-6,11-12H,7-10H2,(H,19,20)(H,21,23)
InChIKeyGPWPKTXJEBHTBB-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.65
Rot. Bonds3

About N-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide

N-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 2569844) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide
PubChem CID2569844
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C18H18N4O2/c23-18(13-5-6-14-16(11-13)20-12-19-14)21-15-3-1-2-4-17(15)22-7-9-24-10-8-22/h1-6,11-12H,7-10H2,(H,19,20)(H,21,23)
InChIKeyGPWPKTXJEBHTBB-UHFFFAOYSA-N
XLogP2.65
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide (CID 2569844) is N-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide is O=C(Nc1ccccc1N1CCOCC1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is GPWPKTXJEBHTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-18(13-5-6-14-16(11-13)20-12-19-14)21-15-3-1-2-4-17(15)22-7-9-24-10-8-22/h1-6,11-12H,7-10H2,(H,19,20)(H,21,23).
What are the key properties of N-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide?
N-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 2569844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).