N-(3-hydroxycyclobutyl)-2-methoxy-1-methylbenzimidazole-5-carboxamide

C14H17N3O3 — CID 175044434

IUPACN-(3-hydroxycyclobutyl)-2-methoxy-1-methylbenzimidazole-5-carboxamide
SMILESCOc1nc2cc(C(=O)NC3CC(O)C3)ccc2n1C
InChIInChI=1S/C14H17N3O3/c1-17-12-4-3-8(5-11(12)16-14(17)20-2)13(19)15-9-6-10(18)7-9/h3-5,9-10,18H,6-7H2,1-2H3,(H,15,19)
InChIKeyYHUKZYFIUSBESQ-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.83
Rot. Bonds3

About N-(3-hydroxycyclobutyl)-2-methoxy-1-methylbenzimidazole-5-carboxamide

N-(3-hydroxycyclobutyl)-2-methoxy-1-methylbenzimidazole-5-carboxamide (PubChem CID 175044434) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(3-hydroxycyclobutyl)-2-methoxy-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxycyclobutyl)-2-methoxy-1-methylbenzimidazole-5-carboxamide
PubChem CID175044434
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(3-hydroxycyclobutyl)-2-methoxy-1-methylbenzimidazole-5-carboxamide
SMILESCOc1nc2cc(C(=O)NC3CC(O)C3)ccc2n1C
InChIInChI=1S/C14H17N3O3/c1-17-12-4-3-8(5-11(12)16-14(17)20-2)13(19)15-9-6-10(18)7-9/h3-5,9-10,18H,6-7H2,1-2H3,(H,15,19)
InChIKeyYHUKZYFIUSBESQ-UHFFFAOYSA-N
XLogP0.83
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxycyclobutyl)-2-methoxy-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-(3-hydroxycyclobutyl)-2-methoxy-1-methylbenzimidazole-5-carboxamide (CID 175044434) is N-(3-hydroxycyclobutyl)-2-methoxy-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-hydroxycyclobutyl)-2-methoxy-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-(3-hydroxycyclobutyl)-2-methoxy-1-methylbenzimidazole-5-carboxamide is COc1nc2cc(C(=O)NC3CC(O)C3)ccc2n1C.
What is the InChIKey of N-(3-hydroxycyclobutyl)-2-methoxy-1-methylbenzimidazole-5-carboxamide?
The InChIKey is YHUKZYFIUSBESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-17-12-4-3-8(5-11(12)16-14(17)20-2)13(19)15-9-6-10(18)7-9/h3-5,9-10,18H,6-7H2,1-2H3,(H,15,19).
What are the key properties of N-(3-hydroxycyclobutyl)-2-methoxy-1-methylbenzimidazole-5-carboxamide?
N-(3-hydroxycyclobutyl)-2-methoxy-1-methylbenzimidazole-5-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxycyclobutyl)-2-methoxy-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 175044434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).