N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-propan-2-yloxypropanamide

C16H23N3O2 — CID 56787204

IUPACN-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)N(C)Cc1nc2ccccc2n1C
InChIInChI=1S/C16H23N3O2/c1-12(2)21-10-9-16(20)18(3)11-15-17-13-7-5-6-8-14(13)19(15)4/h5-8,12H,9-11H2,1-4H3
InChIKeyPPPLMXQWIJPTRJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.35
Rot. Bonds6

About N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-propan-2-yloxypropanamide

N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-propan-2-yloxypropanamide (PubChem CID 56787204) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-propan-2-yloxypropanamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-propan-2-yloxypropanamide
PubChem CID56787204
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)N(C)Cc1nc2ccccc2n1C
InChIInChI=1S/C16H23N3O2/c1-12(2)21-10-9-16(20)18(3)11-15-17-13-7-5-6-8-14(13)19(15)4/h5-8,12H,9-11H2,1-4H3
InChIKeyPPPLMXQWIJPTRJ-UHFFFAOYSA-N
XLogP2.35
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 56739020
N-(3-ethylphenyl)-N'-methyl-N'-[(1-methylbenzimidazol-2-yl)methyl]butanediamide
CID 50957001
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 91764570
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-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 126452559
2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butanoic acid
CID 81009059
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxopiperazin-1-yl)acetamide;dihydrochloride
CID 122148337
(2S)-N-benzyl-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]propanamide
CID 97064350
3-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]urea
CID 126453180
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 167983187
1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(1R)-2-methyl-1-pyridin-3-ylpropyl]urea
CID 125438567

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-propan-2-yloxypropanamide?
The IUPAC name of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-propan-2-yloxypropanamide (CID 56787204) is N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-propan-2-yloxypropanamide.
What is the SMILES notation for N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-propan-2-yloxypropanamide?
The canonical SMILES for N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-propan-2-yloxypropanamide is CC(C)OCCC(=O)N(C)Cc1nc2ccccc2n1C.
What is the InChIKey of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-propan-2-yloxypropanamide?
The InChIKey is PPPLMXQWIJPTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(2)21-10-9-16(20)18(3)11-15-17-13-7-5-6-8-14(13)19(15)4/h5-8,12H,9-11H2,1-4H3.
What are the key properties of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-propan-2-yloxypropanamide?
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-propan-2-yloxypropanamide has a molecular weight of 289.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-propan-2-yloxypropanamide is sourced from PubChem (CID 56787204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).