1-(methoxymethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]cyclobutane-1-carboxamide

C18H25N3O2 — CID 118790225

IUPAC1-(methoxymethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)NCCCc2nc3ccccc3n2C)CCC1
InChIInChI=1S/C18H25N3O2/c1-21-15-8-4-3-7-14(15)20-16(21)9-5-12-19-17(22)18(13-23-2)10-6-11-18/h3-4,7-8H,5-6,9-13H2,1-2H3,(H,19,22)
InChIKeyRTGGOGXFMRNJMW-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.44
Rot. Bonds7

About 1-(methoxymethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]cyclobutane-1-carboxamide

1-(methoxymethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]cyclobutane-1-carboxamide (PubChem CID 118790225) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(methoxymethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(methoxymethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]cyclobutane-1-carboxamide
PubChem CID118790225
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-(methoxymethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)NCCCc2nc3ccccc3n2C)CCC1
InChIInChI=1S/C18H25N3O2/c1-21-15-8-4-3-7-14(15)20-16(21)9-5-12-19-17(22)18(13-23-2)10-6-11-18/h3-4,7-8H,5-6,9-13H2,1-2H3,(H,19,22)
InChIKeyRTGGOGXFMRNJMW-UHFFFAOYSA-N
XLogP2.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-4-carboxamide
CID 119889945
N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide
CID 56792616
N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(2-oxoazepan-1-yl)propanamide
CID 122562630
(2R)-2-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 124590456
(2S)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-pyrrolidin-1-ylbutanamide
CID 124756311
4-[3-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-oxopropyl]benzoic acid
CID 119185805
N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981769
1-[(1-methylbenzimidazol-2-yl)methyl]cycloheptane-1-carboxylic acid
CID 43470977
2-(4-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide
CID 16993804
3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16983297
(2R,4S)-4-hydroxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-2-carboxamide
CID 124697255
trans-(1S,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1,3-dicarboxamide
CID 72927891

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(methoxymethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]cyclobutane-1-carboxamide (CID 118790225) is 1-(methoxymethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(methoxymethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(methoxymethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]cyclobutane-1-carboxamide is COCC1(C(=O)NCCCc2nc3ccccc3n2C)CCC1.
What is the InChIKey of 1-(methoxymethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]cyclobutane-1-carboxamide?
The InChIKey is RTGGOGXFMRNJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-21-15-8-4-3-7-14(15)20-16(21)9-5-12-19-17(22)18(13-23-2)10-6-11-18/h3-4,7-8H,5-6,9-13H2,1-2H3,(H,19,22).
What are the key properties of 1-(methoxymethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]cyclobutane-1-carboxamide?
1-(methoxymethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]cyclobutane-1-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 118790225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).