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

C13H16N4O — CID 115158890

IUPACN-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide
SMILESCn1cnc2cc(CNC(=O)C3CNC3)ccc21
InChIInChI=1S/C13H16N4O/c1-17-8-16-11-4-9(2-3-12(11)17)5-15-13(18)10-6-14-7-10/h2-4,8,10,14H,5-7H2,1H3,(H,15,18)
InChIKeyRXEVHKCANJNIES-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.41
Rot. Bonds3

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

N-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide (PubChem CID 115158890) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide
PubChem CID115158890
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide
SMILESCn1cnc2cc(CNC(=O)C3CNC3)ccc21
InChIInChI=1S/C13H16N4O/c1-17-8-16-11-4-9(2-3-12(11)17)5-15-13(18)10-6-14-7-10/h2-4,8,10,14H,5-7H2,1H3,(H,15,18)
InChIKeyRXEVHKCANJNIES-UHFFFAOYSA-N
XLogP0.41
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylbenzimidazol-5-yl)ethyl]azetidine-3-carboxamide
CID 115159038
N-[(1-methylbenzimidazol-5-yl)methyl]-2-sulfanylacetamide
CID 115167209
1-cyano-N-[(1-methylbenzimidazol-5-yl)methyl]formamide
CID 115172225
1-[(1-methylbenzimidazol-5-yl)methyl]-3-spiro[2.5]octan-2-ylurea
CID 139018215
1-(5-ethyl-2-methyl-4-pyridinyl)-3-[(1-methylbenzimidazol-5-yl)methyl]urea
CID 166313203
2-(1-methylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110772869
2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 53014028
2-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide
CID 53014032
N-[2-(1-methylbenzimidazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110796152
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)azetidine-3-carboxamide
CID 115158822
5,5-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidin-3-amine
CID 115145923
2-(3-methoxyphenyl)-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide
CID 110785836

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide?
The IUPAC name of N-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide (CID 115158890) is N-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide?
The canonical SMILES for N-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide is Cn1cnc2cc(CNC(=O)C3CNC3)ccc21.
What is the InChIKey of N-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide?
The InChIKey is RXEVHKCANJNIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17-8-16-11-4-9(2-3-12(11)17)5-15-13(18)10-6-14-7-10/h2-4,8,10,14H,5-7H2,1H3,(H,15,18).
What are the key properties of N-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide?
N-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide is sourced from PubChem (CID 115158890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).