(1,2-dimethylbenzimidazol-5-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone

C14H16N2O3 — CID 116922620

IUPAC(1,2-dimethylbenzimidazol-5-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
SMILESCc1nc2cc(C(=O)C3(CO)COC3)ccc2n1C
InChIInChI=1S/C14H16N2O3/c1-9-15-11-5-10(3-4-12(11)16(9)2)13(18)14(6-17)7-19-8-14/h3-5,17H,6-8H2,1-2H3
InChIKeyQFQKSIPVFJSERH-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.07
Rot. Bonds3

About (1,2-dimethylbenzimidazol-5-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone

(1,2-dimethylbenzimidazol-5-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone (PubChem CID 116922620) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (1,2-dimethylbenzimidazol-5-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone.

Molecular Properties

Compound Name(1,2-dimethylbenzimidazol-5-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
PubChem CID116922620
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(1,2-dimethylbenzimidazol-5-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
SMILESCc1nc2cc(C(=O)C3(CO)COC3)ccc2n1C
InChIInChI=1S/C14H16N2O3/c1-9-15-11-5-10(3-4-12(11)16(9)2)13(18)14(6-17)7-19-8-14/h3-5,17H,6-8H2,1-2H3
InChIKeyQFQKSIPVFJSERH-UHFFFAOYSA-N
XLogP1.07
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone
CID 39104493
N-[(4-hydroxyoxan-4-yl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 111486100
3-(1,2-dimethylbenzimidazol-5-yl)-2-methyl-3-oxopropanoic acid
CID 116918248
[4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 110802064
1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831
N,N-dibenzyl-1,2-dimethylbenzimidazole-5-carboxamide
CID 100776245
N-[(1-hydroxycyclopentyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 111332930
N-[(1-hydroxycyclobutyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 111445697
4-(1,2-dimethylbenzimidazol-5-yl)-4-oxobutanenitrile
CID 116862122
2-[1-(1,2-dimethylbenzimidazol-5-yl)cyclopropyl]acetic acid
CID 117362592
(1,2-dimethylbenzimidazol-5-yl)-morpholin-3-ylmethanone
CID 116919643
(4-tert-butylphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116922539

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylbenzimidazol-5-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone?
The IUPAC name of (1,2-dimethylbenzimidazol-5-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone (CID 116922620) is (1,2-dimethylbenzimidazol-5-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone.
What is the SMILES notation for (1,2-dimethylbenzimidazol-5-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone?
The canonical SMILES for (1,2-dimethylbenzimidazol-5-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone is Cc1nc2cc(C(=O)C3(CO)COC3)ccc2n1C.
What is the InChIKey of (1,2-dimethylbenzimidazol-5-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone?
The InChIKey is QFQKSIPVFJSERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-15-11-5-10(3-4-12(11)16(9)2)13(18)14(6-17)7-19-8-14/h3-5,17H,6-8H2,1-2H3.
What are the key properties of (1,2-dimethylbenzimidazol-5-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone?
(1,2-dimethylbenzimidazol-5-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone has a molecular weight of 260.29 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylbenzimidazol-5-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone is sourced from PubChem (CID 116922620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).