N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(2-methylphenoxy)acetamide

C23H21N3O2 — CID 42883479

IUPACN-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NC(c1ccccc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C23H21N3O2/c1-16-7-5-6-10-21(16)28-14-22(27)26-23(17-8-3-2-4-9-17)18-11-12-19-20(13-18)25-15-24-19/h2-13,15,23H,14H2,1H3,(H,24,25)(H,26,27)
InChIKeyAVRUDYJBIZWCQT-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.16
Rot. Bonds6

About N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(2-methylphenoxy)acetamide

N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(2-methylphenoxy)acetamide (PubChem CID 42883479) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(2-methylphenoxy)acetamide
PubChem CID42883479
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NC(c1ccccc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C23H21N3O2/c1-16-7-5-6-10-21(16)28-14-22(27)26-23(17-8-3-2-4-9-17)18-11-12-19-20(13-18)25-15-24-19/h2-13,15,23H,14H2,1H3,(H,24,25)(H,26,27)
InChIKeyAVRUDYJBIZWCQT-UHFFFAOYSA-N
XLogP4.16
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 86916761
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(3-methoxyphenyl)propanamide
CID 24666701
N-[(S)-3H-benzimidazol-5-yl(phenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 25474476
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-phenylbutanamide
CID 78876519
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2,4-dimethylbenzamide
CID 78836794
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(4-chlorophenyl)-4-oxobutanamide
CID 78839236
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119840634
1-[3H-benzimidazol-5-yl(phenyl)methyl]-3-[2-(2-fluorophenoxy)ethyl]urea
CID 42954456
N-[2-[[3H-benzimidazol-5-yl(phenyl)methyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 78886875
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-bromo-5-methoxybenzamide
CID 78836790
2-(2-iodophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 43926563
2-(2,5-dimethylphenoxy)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43909084

Frequently Asked Questions

What is the IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(2-methylphenoxy)acetamide (CID 42883479) is N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)NC(c1ccccc1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is AVRUDYJBIZWCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-16-7-5-6-10-21(16)28-14-22(27)26-23(17-8-3-2-4-9-17)18-11-12-19-20(13-18)25-15-24-19/h2-13,15,23H,14H2,1H3,(H,24,25)(H,26,27).
What are the key properties of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(2-methylphenoxy)acetamide?
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 371.44 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 42883479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).