N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenoxybutanamide

C19H21N3O2 — CID 51073455

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)NCc1nc2ccccc2n1C
InChIInChI=1S/C19H21N3O2/c1-3-17(24-14-9-5-4-6-10-14)19(23)20-13-18-21-15-11-7-8-12-16(15)22(18)2/h4-12,17H,3,13H2,1-2H3,(H,20,23)
InChIKeyKQYMEJFCDXSURS-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.05
Rot. Bonds6

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

N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenoxybutanamide (PubChem CID 51073455) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenoxybutanamide.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-2-phenoxybutanamide
PubChem CID51073455
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)NCc1nc2ccccc2n1C
InChIInChI=1S/C19H21N3O2/c1-3-17(24-14-9-5-4-6-10-14)19(23)20-13-18-21-15-11-7-8-12-16(15)22(18)2/h4-12,17H,3,13H2,1-2H3,(H,20,23)
InChIKeyKQYMEJFCDXSURS-UHFFFAOYSA-N
XLogP3.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 47012390
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 43911069
2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide
CID 60677060
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pent-2-enamide
CID 76861363
2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide
CID 62997725
N-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 134012185
phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate
CID 110711959
N-[2-(2-hydroxyethoxy)ethyl]-2-phenoxybutanamide
CID 60654444
methyl (2S)-2-[(1-methylbenzimidazol-2-yl)methylamino]propanoate
CID 55242093
1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea
CID 110747240
2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407
N-[(2R)-2-hydroxypropyl]-2-phenoxybutanamide
CID 83031492

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenoxybutanamide?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenoxybutanamide (CID 51073455) is N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenoxybutanamide.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenoxybutanamide?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)NCc1nc2ccccc2n1C.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenoxybutanamide?
The InChIKey is KQYMEJFCDXSURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-17(24-14-9-5-4-6-10-14)19(23)20-13-18-21-15-11-7-8-12-16(15)22(18)2/h4-12,17H,3,13H2,1-2H3,(H,20,23).
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenoxybutanamide?
N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenoxybutanamide has a molecular weight of 323.40 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenoxybutanamide is sourced from PubChem (CID 51073455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).