(2S)-2-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-phenylacetamide

C18H19N3O2 — CID 99995565

IUPAC(2S)-2-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-phenylacetamide
SMILESCO[C@H](C(=O)NCc1ccc2nc(C)[nH]c2c1)c1ccccc1
InChIInChI=1S/C18H19N3O2/c1-12-20-15-9-8-13(10-16(15)21-12)11-19-18(22)17(23-2)14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3,(H,19,22)(H,20,21)/t17-/m0/s1
InChIKeyFWFHXVZWUVUJHB-KRWDZBQOSA-N
MW309.37 g/mol
LogP2.88
Rot. Bonds5

About (2S)-2-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-phenylacetamide

(2S)-2-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-phenylacetamide (PubChem CID 99995565) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2S)-2-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-phenylacetamide
PubChem CID99995565
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(2S)-2-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-phenylacetamide
SMILESCO[C@H](C(=O)NCc1ccc2nc(C)[nH]c2c1)c1ccccc1
InChIInChI=1S/C18H19N3O2/c1-12-20-15-9-8-13(10-16(15)21-12)11-19-18(22)17(23-2)14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3,(H,19,22)(H,20,21)/t17-/m0/s1
InChIKeyFWFHXVZWUVUJHB-KRWDZBQOSA-N
XLogP2.88
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
(2S)-2-(dimethylamino)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-(3-methylphenyl)acetamide
CID 99987005
(2R)-2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 6543594
(2R)-2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-3-(2-methylphenoxy)propanamide
CID 99936083
2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 115139875
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-methoxy-2-phenylacetamide
CID 77092358
(2S)-2-methoxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-phenylacetamide
CID 99949568
1-(hydroxymethyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 115182270
2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 110785613
2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylacetamide
CID 77097676
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-phenylacetamide
CID 110791481
3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide
CID 110785648

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-phenylacetamide (CID 99995565) is (2S)-2-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-phenylacetamide is CO[C@H](C(=O)NCc1ccc2nc(C)[nH]c2c1)c1ccccc1.
What is the InChIKey of (2S)-2-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-phenylacetamide?
The InChIKey is FWFHXVZWUVUJHB-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-20-15-9-8-13(10-16(15)21-12)11-19-18(22)17(23-2)14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3,(H,19,22)(H,20,21)/t17-/m0/s1.
What are the key properties of (2S)-2-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-phenylacetamide?
(2S)-2-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-phenylacetamide has a molecular weight of 309.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 99995565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).