1-(1,3-dioxolan-4-ylmethyl)benzimidazole

C11H12N2O2 — CID 58743711

IUPAC1-(1,3-dioxolan-4-ylmethyl)benzimidazole
SMILESc1ccc2c(c1)ncn2CC1COCO1
InChIInChI=1S/C11H12N2O2/c1-2-4-11-10(3-1)12-7-13(11)5-9-6-14-8-15-9/h1-4,7,9H,5-6,8H2
InChIKeyMAQNFPORZBKZKP-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.41
Rot. Bonds2

About 1-(1,3-dioxolan-4-ylmethyl)benzimidazole

1-(1,3-dioxolan-4-ylmethyl)benzimidazole (PubChem CID 58743711) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(1,3-dioxolan-4-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1-(1,3-dioxolan-4-ylmethyl)benzimidazole
PubChem CID58743711
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-(1,3-dioxolan-4-ylmethyl)benzimidazole
SMILESc1ccc2c(c1)ncn2CC1COCO1
InChIInChI=1S/C11H12N2O2/c1-2-4-11-10(3-1)12-7-13(11)5-9-6-14-8-15-9/h1-4,7,9H,5-6,8H2
InChIKeyMAQNFPORZBKZKP-UHFFFAOYSA-N
XLogP1.41
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopenta-2,4-dien-1-ylmethyl)benzimidazole
CID 15397533
3-[[(2R)-oxiran-2-yl]methyl]imidazo[4,5-b]pyridine
CID 97180386
3-(oxiran-2-ylmethyl)quinazolin-4-one
CID 12905622
3-(1,4-dioxan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 82791302
4-(benzimidazol-1-ylmethyl)cyclohexane-1-carboxylic acid
CID 172582070
1-[[1-(bromomethyl)cyclohexyl]methyl]benzimidazole
CID 65002237
1-(phenylsulfanylmethyl)benzimidazole
CID 1042754
N-[[3-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]cyclopropanamine
CID 62448348
1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
CID 5190432
1-(cyclopropylmethoxymethyl)benzimidazole
CID 90028770
N-[3-(benzimidazol-1-yl)propyl]oxan-4-amine
CID 43608514
1-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]benzimidazole
CID 101070321

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-4-ylmethyl)benzimidazole?
The IUPAC name of 1-(1,3-dioxolan-4-ylmethyl)benzimidazole (CID 58743711) is 1-(1,3-dioxolan-4-ylmethyl)benzimidazole.
What is the SMILES notation for 1-(1,3-dioxolan-4-ylmethyl)benzimidazole?
The canonical SMILES for 1-(1,3-dioxolan-4-ylmethyl)benzimidazole is c1ccc2c(c1)ncn2CC1COCO1.
What is the InChIKey of 1-(1,3-dioxolan-4-ylmethyl)benzimidazole?
The InChIKey is MAQNFPORZBKZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-4-11-10(3-1)12-7-13(11)5-9-6-14-8-15-9/h1-4,7,9H,5-6,8H2.
What are the key properties of 1-(1,3-dioxolan-4-ylmethyl)benzimidazole?
1-(1,3-dioxolan-4-ylmethyl)benzimidazole has a molecular weight of 204.23 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-4-ylmethyl)benzimidazole is sourced from PubChem (CID 58743711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).