2-methoxy-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide

C19H21N3O2 — CID 56739020

IUPAC2-methoxy-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
SMILESCOC(C(=O)N(C)Cc1nc2ccccc2n1C)c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-21(19(23)18(24-3)14-9-5-4-6-10-14)13-17-20-15-11-7-8-12-16(15)22(17)2/h4-12,18H,13H2,1-3H3
InChIKeyHHPBJMODIKBIIW-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.92
Rot. Bonds5

About 2-methoxy-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide

2-methoxy-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide (PubChem CID 56739020) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
PubChem CID56739020
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-methoxy-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
SMILESCOC(C(=O)N(C)Cc1nc2ccccc2n1C)c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-21(19(23)18(24-3)14-9-5-4-6-10-14)13-17-20-15-11-7-8-12-16(15)22(17)2/h4-12,18H,13H2,1-3H3
InChIKeyHHPBJMODIKBIIW-UHFFFAOYSA-N
XLogP2.92
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-propan-2-yloxypropanamide
CID 56787204
(2R)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 95631181
(2S)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 95631182
2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid
CID 101152444
methyl 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetate
CID 86237797
1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(1R)-2-methyl-1-pyridin-3-ylpropyl]urea
CID 125438567
2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butanoic acid
CID 81009059
methyl (2S)-2-[(1-methylbenzimidazol-2-yl)methylamino]propanoate
CID 55242093
2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 47012390
(2S)-N-benzyl-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]propanamide
CID 97064350
4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride
CID 71828515
1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 126452559

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide?
The IUPAC name of 2-methoxy-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide (CID 56739020) is 2-methoxy-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide?
The canonical SMILES for 2-methoxy-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide is COC(C(=O)N(C)Cc1nc2ccccc2n1C)c1ccccc1.
What is the InChIKey of 2-methoxy-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide?
The InChIKey is HHPBJMODIKBIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-21(19(23)18(24-3)14-9-5-4-6-10-14)13-17-20-15-11-7-8-12-16(15)22(17)2/h4-12,18H,13H2,1-3H3.
What are the key properties of 2-methoxy-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide?
2-methoxy-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide has a molecular weight of 323.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 56739020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).