2-(2-methyl-3H-benzimidazol-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide

C19H22N3O+ — CID 4245884

IUPAC2-(2-methyl-3H-benzimidazol-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide
SMILESCc1[nH]c2ccccc2[n+]1CC(=O)N(c1ccccc1)C(C)C
InChIInChI=1S/C19H21N3O/c1-14(2)22(16-9-5-4-6-10-16)19(23)13-21-15(3)20-17-11-7-8-12-18(17)21/h4-12,14H,13H2,1-3H3/p+1
InChIKeyMLYQWXHBMAIDRN-UHFFFAOYSA-O
MW308.41 g/mol
LogP3.21
Rot. Bonds4

About 2-(2-methyl-3H-benzimidazol-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide

2-(2-methyl-3H-benzimidazol-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide (PubChem CID 4245884) has the molecular formula C19H22N3O+ and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-(2-methyl-3H-benzimidazol-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-methyl-3H-benzimidazol-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide
PubChem CID4245884
Molecular FormulaC19H22N3O+
Molecular Weight308.41 g/mol
Exact Mass308.18
IUPAC Name2-(2-methyl-3H-benzimidazol-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide
SMILESCc1[nH]c2ccccc2[n+]1CC(=O)N(c1ccccc1)C(C)C
InChIInChI=1S/C19H21N3O/c1-14(2)22(16-9-5-4-6-10-16)19(23)13-21-15(3)20-17-11-7-8-12-18(17)21/h4-12,14H,13H2,1-3H3/p+1
InChIKeyMLYQWXHBMAIDRN-UHFFFAOYSA-O
XLogP3.21
TPSA39.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-N-propan-2-yl-2-pyridin-1-ium-1-ylacetamide
CID 3657439
2-(4-methylpyridin-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide chloride
CID 2874909
2-(1H-benzimidazol-2-ylsulfanyl)-N-phenyl-N-propan-2-ylacetamide chloride
CID 21179427
9-oxo-N-phenyl-N-propan-2-yldecanamide
CID 70913748
N'-phenyl-N,N'-di(propan-2-yl)propanediamide
CID 71028151
N,N-diethyl-2-(2-methyl-3H-benzimidazol-1-ium-1-yl)ethanamine
CID 4579331
2-dihydroxyphosphinothioylsulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 149151907
3-hydroxy-1-phenyl-1-propan-2-ylurea
CID 22717691
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate
CID 2354919
N-(4-fluorophenyl)-N-propan-2-ylpropanamide
CID 18339665
3-butyl-2-methyl-1H-benzimidazol-3-ium iodide
CID 141472631
[2-oxo-2-(N-propan-2-ylanilino)ethyl] ethanesulfonate
CID 54206436

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3H-benzimidazol-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-methyl-3H-benzimidazol-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide (CID 4245884) is 2-(2-methyl-3H-benzimidazol-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-methyl-3H-benzimidazol-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-methyl-3H-benzimidazol-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide is Cc1[nH]c2ccccc2[n+]1CC(=O)N(c1ccccc1)C(C)C.
What is the InChIKey of 2-(2-methyl-3H-benzimidazol-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is MLYQWXHBMAIDRN-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21N3O/c1-14(2)22(16-9-5-4-6-10-16)19(23)13-21-15(3)20-17-11-7-8-12-18(17)21/h4-12,14H,13H2,1-3H3/p+1.
What are the key properties of 2-(2-methyl-3H-benzimidazol-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide?
2-(2-methyl-3H-benzimidazol-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 308.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3H-benzimidazol-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 4245884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).