3-amino-N-(3H-benzimidazol-5-ylmethyl)-N-methylcyclobutane-1-carboxamide

C14H18N4O — CID 115161615

IUPAC3-amino-N-(3H-benzimidazol-5-ylmethyl)-N-methylcyclobutane-1-carboxamide
SMILESCN(Cc1ccc2nc[nH]c2c1)C(=O)C1CC(N)C1
InChIInChI=1S/C14H18N4O/c1-18(14(19)10-5-11(15)6-10)7-9-2-3-12-13(4-9)17-8-16-12/h2-4,8,10-11H,5-7,15H2,1H3,(H,16,17)
InChIKeyOJMDHWXRMRKWMO-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.26
Rot. Bonds3

About 3-amino-N-(3H-benzimidazol-5-ylmethyl)-N-methylcyclobutane-1-carboxamide

3-amino-N-(3H-benzimidazol-5-ylmethyl)-N-methylcyclobutane-1-carboxamide (PubChem CID 115161615) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-amino-N-(3H-benzimidazol-5-ylmethyl)-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3H-benzimidazol-5-ylmethyl)-N-methylcyclobutane-1-carboxamide
PubChem CID115161615
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-amino-N-(3H-benzimidazol-5-ylmethyl)-N-methylcyclobutane-1-carboxamide
SMILESCN(Cc1ccc2nc[nH]c2c1)C(=O)C1CC(N)C1
InChIInChI=1S/C14H18N4O/c1-18(14(19)10-5-11(15)6-10)7-9-2-3-12-13(4-9)17-8-16-12/h2-4,8,10-11H,5-7,15H2,1H3,(H,16,17)
InChIKeyOJMDHWXRMRKWMO-UHFFFAOYSA-N
XLogP1.26
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3H-benzimidazol-5-ylmethyl)-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 3-amino-N-(3H-benzimidazol-5-ylmethyl)-N-methylcyclobutane-1-carboxamide (CID 115161615) is 3-amino-N-(3H-benzimidazol-5-ylmethyl)-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3H-benzimidazol-5-ylmethyl)-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 3-amino-N-(3H-benzimidazol-5-ylmethyl)-N-methylcyclobutane-1-carboxamide is CN(Cc1ccc2nc[nH]c2c1)C(=O)C1CC(N)C1.
What is the InChIKey of 3-amino-N-(3H-benzimidazol-5-ylmethyl)-N-methylcyclobutane-1-carboxamide?
The InChIKey is OJMDHWXRMRKWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18(14(19)10-5-11(15)6-10)7-9-2-3-12-13(4-9)17-8-16-12/h2-4,8,10-11H,5-7,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-(3H-benzimidazol-5-ylmethyl)-N-methylcyclobutane-1-carboxamide?
3-amino-N-(3H-benzimidazol-5-ylmethyl)-N-methylcyclobutane-1-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3H-benzimidazol-5-ylmethyl)-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 115161615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).