N-[oxan-4-yl(phenyl)methyl]-3H-benzimidazole-5-carboxamide

C20H21N3O2 — CID 56791414

IUPACN-[oxan-4-yl(phenyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC(c1ccccc1)C1CCOCC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C20H21N3O2/c24-20(16-6-7-17-18(12-16)22-13-21-17)23-19(14-4-2-1-3-5-14)15-8-10-25-11-9-15/h1-7,12-13,15,19H,8-11H2,(H,21,22)(H,23,24)
InChIKeyIAFKECBHSCICFR-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.46
Rot. Bonds4

About N-[oxan-4-yl(phenyl)methyl]-3H-benzimidazole-5-carboxamide

N-[oxan-4-yl(phenyl)methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 56791414) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[oxan-4-yl(phenyl)methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[oxan-4-yl(phenyl)methyl]-3H-benzimidazole-5-carboxamide
PubChem CID56791414
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[oxan-4-yl(phenyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC(c1ccccc1)C1CCOCC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C20H21N3O2/c24-20(16-6-7-17-18(12-16)22-13-21-17)23-19(14-4-2-1-3-5-14)15-8-10-25-11-9-15/h1-7,12-13,15,19H,8-11H2,(H,21,22)(H,23,24)
InChIKeyIAFKECBHSCICFR-UHFFFAOYSA-N
XLogP3.46
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-morpholin-4-yl-2-phenylethyl)-3H-benzimidazole-5-carboxamide
CID 42948401
4-formamido-N-[(R)-oxan-4-yl(phenyl)methyl]benzamide
CID 95928310
N-(2-methylsulfinyl-1-phenylethyl)-3H-benzimidazole-5-carboxamide
CID 71980141
N-[(S)-phenyl(thiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 27885939
N-[4-(hydroxymethyl)oxan-4-yl]-3H-benzimidazole-5-carboxamide
CID 106297402
N-[cyclopropyl(phenyl)methyl]-1H-indazole-6-carboxamide
CID 167970891
N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide
CID 94820916
N-[(2R)-4-[(2S)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide
CID 94820918
2-(3H-benzimidazole-5-carbonylamino)-3-methylbutanoic acid
CID 24700991
N-(1-phenylpropan-2-yl)-3H-benzimidazole-5-carboxamide
CID 63012845
N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 27646859
N-[1-(3-chlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 42905894

Frequently Asked Questions

What is the IUPAC name of N-[oxan-4-yl(phenyl)methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[oxan-4-yl(phenyl)methyl]-3H-benzimidazole-5-carboxamide (CID 56791414) is N-[oxan-4-yl(phenyl)methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[oxan-4-yl(phenyl)methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[oxan-4-yl(phenyl)methyl]-3H-benzimidazole-5-carboxamide is O=C(NC(c1ccccc1)C1CCOCC1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[oxan-4-yl(phenyl)methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is IAFKECBHSCICFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-20(16-6-7-17-18(12-16)22-13-21-17)23-19(14-4-2-1-3-5-14)15-8-10-25-11-9-15/h1-7,12-13,15,19H,8-11H2,(H,21,22)(H,23,24).
What are the key properties of N-[oxan-4-yl(phenyl)methyl]-3H-benzimidazole-5-carboxamide?
N-[oxan-4-yl(phenyl)methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-4-yl(phenyl)methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 56791414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).