N-[(1-hydroxycyclobutyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide

C15H19N3O2 — CID 111445697

IUPACN-[(1-hydroxycyclobutyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCC3(O)CCC3)ccc2n1C
InChIInChI=1S/C15H19N3O2/c1-10-17-12-8-11(4-5-13(12)18(10)2)14(19)16-9-15(20)6-3-7-15/h4-5,8,20H,3,6-7,9H2,1-2H3,(H,16,19)
InChIKeyLMXYWUDFJUIBET-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.53
Rot. Bonds3

About N-[(1-hydroxycyclobutyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide

N-[(1-hydroxycyclobutyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide (PubChem CID 111445697) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
PubChem CID111445697
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCC3(O)CCC3)ccc2n1C
InChIInChI=1S/C15H19N3O2/c1-10-17-12-8-11(4-5-13(12)18(10)2)14(19)16-9-15(20)6-3-7-15/h4-5,8,20H,3,6-7,9H2,1-2H3,(H,16,19)
InChIKeyLMXYWUDFJUIBET-UHFFFAOYSA-N
XLogP1.53
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide (CID 111445697) is N-[(1-hydroxycyclobutyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide is Cc1nc2cc(C(=O)NCC3(O)CCC3)ccc2n1C.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide?
The InChIKey is LMXYWUDFJUIBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-17-12-8-11(4-5-13(12)18(10)2)14(19)16-9-15(20)6-3-7-15/h4-5,8,20H,3,6-7,9H2,1-2H3,(H,16,19).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide?
N-[(1-hydroxycyclobutyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 111445697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).