(2R)-N-(1H-benzimidazol-4-yl)-2-methoxy-2-phenylacetamide

C16H15N3O2 — CID 95630343

IUPAC(2R)-N-(1H-benzimidazol-4-yl)-2-methoxy-2-phenylacetamide
SMILESCO[C@@H](C(=O)Nc1cccc2[nH]cnc12)c1ccccc1
InChIInChI=1S/C16H15N3O2/c1-21-15(11-6-3-2-4-7-11)16(20)19-13-9-5-8-12-14(13)18-10-17-12/h2-10,15H,1H3,(H,17,18)(H,19,20)/t15-/m1/s1
InChIKeyAOQHRDQLVQQFQN-OAHLLOKOSA-N
MW281.32 g/mol
LogP2.89
Rot. Bonds4

About (2R)-N-(1H-benzimidazol-4-yl)-2-methoxy-2-phenylacetamide

(2R)-N-(1H-benzimidazol-4-yl)-2-methoxy-2-phenylacetamide (PubChem CID 95630343) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is (2R)-N-(1H-benzimidazol-4-yl)-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(1H-benzimidazol-4-yl)-2-methoxy-2-phenylacetamide
PubChem CID95630343
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name(2R)-N-(1H-benzimidazol-4-yl)-2-methoxy-2-phenylacetamide
SMILESCO[C@@H](C(=O)Nc1cccc2[nH]cnc12)c1ccccc1
InChIInChI=1S/C16H15N3O2/c1-21-15(11-6-3-2-4-7-11)16(20)19-13-9-5-8-12-14(13)18-10-17-12/h2-10,15H,1H3,(H,17,18)(H,19,20)/t15-/m1/s1
InChIKeyAOQHRDQLVQQFQN-OAHLLOKOSA-N
XLogP2.89
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-3-pyridinyl)-2-methoxy-2-phenylacetamide
CID 75846276
1H-benzimidazol-4-ylurea;1,1-diphenylurea
CID 174558316
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
N-(4-anilinophenyl)-2-methoxy-2-phenylacetamide
CID 75415396
trans-(1R,2R)-N-(1H-benzimidazol-4-yl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 99564709
N-(2,6-difluorophenyl)-2-methoxy-2-phenylacetamide
CID 2955946
N-(6-chloro-2-pyridinyl)-2-methoxy-2-phenylacetamide
CID 115683268
2-methoxy-2-phenyl-N-(1H-pyrazol-4-yl)acetamide
CID 60968186
(2S)-2-methoxy-2-phenyl-N-pyridin-3-ylacetamide
CID 51604927
(2S)-N-(3-fluoro-4-pyridinyl)-2-methoxy-2-phenylacetamide
CID 124574279
6-[(2-methoxy-2-phenylacetyl)amino]pyridine-2-carboxylic acid
CID 63641845
N-(2-ethoxyphenyl)-1H-benzimidazole-4-carboxamide
CID 110700925

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1H-benzimidazol-4-yl)-2-methoxy-2-phenylacetamide?
The IUPAC name of (2R)-N-(1H-benzimidazol-4-yl)-2-methoxy-2-phenylacetamide (CID 95630343) is (2R)-N-(1H-benzimidazol-4-yl)-2-methoxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(1H-benzimidazol-4-yl)-2-methoxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-(1H-benzimidazol-4-yl)-2-methoxy-2-phenylacetamide is CO[C@@H](C(=O)Nc1cccc2[nH]cnc12)c1ccccc1.
What is the InChIKey of (2R)-N-(1H-benzimidazol-4-yl)-2-methoxy-2-phenylacetamide?
The InChIKey is AOQHRDQLVQQFQN-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-21-15(11-6-3-2-4-7-11)16(20)19-13-9-5-8-12-14(13)18-10-17-12/h2-10,15H,1H3,(H,17,18)(H,19,20)/t15-/m1/s1.
What are the key properties of (2R)-N-(1H-benzimidazol-4-yl)-2-methoxy-2-phenylacetamide?
(2R)-N-(1H-benzimidazol-4-yl)-2-methoxy-2-phenylacetamide has a molecular weight of 281.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1H-benzimidazol-4-yl)-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 95630343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).