N-[2-(1-methylbenzimidazol-5-yl)ethyl]azetidine-3-carboxamide

C14H18N4O — CID 115159038

IUPACN-[2-(1-methylbenzimidazol-5-yl)ethyl]azetidine-3-carboxamide
SMILESCn1cnc2cc(CCNC(=O)C3CNC3)ccc21
InChIInChI=1S/C14H18N4O/c1-18-9-17-12-6-10(2-3-13(12)18)4-5-16-14(19)11-7-15-8-11/h2-3,6,9,11,15H,4-5,7-8H2,1H3,(H,16,19)
InChIKeyRTSIVBLBRYBBTR-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.45
Rot. Bonds4

About N-[2-(1-methylbenzimidazol-5-yl)ethyl]azetidine-3-carboxamide

N-[2-(1-methylbenzimidazol-5-yl)ethyl]azetidine-3-carboxamide (PubChem CID 115159038) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-(1-methylbenzimidazol-5-yl)ethyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylbenzimidazol-5-yl)ethyl]azetidine-3-carboxamide
PubChem CID115159038
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[2-(1-methylbenzimidazol-5-yl)ethyl]azetidine-3-carboxamide
SMILESCn1cnc2cc(CCNC(=O)C3CNC3)ccc21
InChIInChI=1S/C14H18N4O/c1-18-9-17-12-6-10(2-3-13(12)18)4-5-16-14(19)11-7-15-8-11/h2-3,6,9,11,15H,4-5,7-8H2,1H3,(H,16,19)
InChIKeyRTSIVBLBRYBBTR-UHFFFAOYSA-N
XLogP0.45
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide
CID 115158890
N-[2-(1-methylbenzimidazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110796152
3-chloro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115162649
N-[2-(1-methylbenzimidazol-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110791656
3-amino-2-hydroxy-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115180781
[2-(1-methylbenzimidazol-5-yl)ethylamino]methanol
CID 115229361
3-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzamide
CID 110791606
benzyl N-[2-(1-methylbenzimidazol-5-yl)ethyl]carbamate
CID 110791642
3-acetamido-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzamide
CID 110796161
2-(1-methylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110772869
N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692599
2-[2-(1-methylbenzimidazol-5-yl)ethylamino]ethanethiol
CID 115224269

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylbenzimidazol-5-yl)ethyl]azetidine-3-carboxamide?
The IUPAC name of N-[2-(1-methylbenzimidazol-5-yl)ethyl]azetidine-3-carboxamide (CID 115159038) is N-[2-(1-methylbenzimidazol-5-yl)ethyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[2-(1-methylbenzimidazol-5-yl)ethyl]azetidine-3-carboxamide?
The canonical SMILES for N-[2-(1-methylbenzimidazol-5-yl)ethyl]azetidine-3-carboxamide is Cn1cnc2cc(CCNC(=O)C3CNC3)ccc21.
What is the InChIKey of N-[2-(1-methylbenzimidazol-5-yl)ethyl]azetidine-3-carboxamide?
The InChIKey is RTSIVBLBRYBBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18-9-17-12-6-10(2-3-13(12)18)4-5-16-14(19)11-7-15-8-11/h2-3,6,9,11,15H,4-5,7-8H2,1H3,(H,16,19).
What are the key properties of N-[2-(1-methylbenzimidazol-5-yl)ethyl]azetidine-3-carboxamide?
N-[2-(1-methylbenzimidazol-5-yl)ethyl]azetidine-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylbenzimidazol-5-yl)ethyl]azetidine-3-carboxamide is sourced from PubChem (CID 115159038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).