3-(4-chloro-1H-benzimidazol-2-yl)oxolan-3-amine

C11H12ClN3O — CID 64888623

IUPAC3-(4-chloro-1H-benzimidazol-2-yl)oxolan-3-amine
SMILESNC1(c2nc3c(Cl)cccc3[nH]2)CCOC1
InChIInChI=1S/C11H12ClN3O/c12-7-2-1-3-8-9(7)15-10(14-8)11(13)4-5-16-6-11/h1-3H,4-6,13H2,(H,14,15)
InChIKeyPZVZKTVQDULHSF-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.79
Rot. Bonds1

About 3-(4-chloro-1H-benzimidazol-2-yl)oxolan-3-amine

3-(4-chloro-1H-benzimidazol-2-yl)oxolan-3-amine (PubChem CID 64888623) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 3-(4-chloro-1H-benzimidazol-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name3-(4-chloro-1H-benzimidazol-2-yl)oxolan-3-amine
PubChem CID64888623
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name3-(4-chloro-1H-benzimidazol-2-yl)oxolan-3-amine
SMILESNC1(c2nc3c(Cl)cccc3[nH]2)CCOC1
InChIInChI=1S/C11H12ClN3O/c12-7-2-1-3-8-9(7)15-10(14-8)11(13)4-5-16-6-11/h1-3H,4-6,13H2,(H,14,15)
InChIKeyPZVZKTVQDULHSF-UHFFFAOYSA-N
XLogP1.79
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylsulfonyl-1H-benzimidazol-2-yl)oxolan-3-amine
CID 82008099
4-(4-fluoro-1H-benzimidazol-2-yl)oxan-4-amine
CID 113280276
4-[1-(4-chloro-1H-benzimidazol-2-yl)cyclopropyl]aniline
CID 115913023
2-(4-chloro-1H-benzimidazol-2-yl)-2-methylcyclopentan-1-amine
CID 82763076
3-(6-methoxy-1H-benzimidazol-2-yl)oxolan-3-amine
CID 65017552
1-(4-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine
CID 61289877
4-chloro-2-(3-ethylpyrrolidin-3-yl)-1H-benzimidazole
CID 63144329
2-(2-chlorophenyl)-7-oxaspiro[3.5]nonan-2-amine
CID 65006357
4-chloro-1H-benzimidazole-2-carboxamide
CID 175457980
4-chloro-2-(2,2-dimethylcyclopentyl)-1H-benzimidazole
CID 107180154
4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)oxan-4-amine
CID 115292241
(2S)-2-(4-chloro-1H-benzimidazol-2-yl)propan-1-amine
CID 94542564

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1H-benzimidazol-2-yl)oxolan-3-amine?
The IUPAC name of 3-(4-chloro-1H-benzimidazol-2-yl)oxolan-3-amine (CID 64888623) is 3-(4-chloro-1H-benzimidazol-2-yl)oxolan-3-amine.
What is the SMILES notation for 3-(4-chloro-1H-benzimidazol-2-yl)oxolan-3-amine?
The canonical SMILES for 3-(4-chloro-1H-benzimidazol-2-yl)oxolan-3-amine is NC1(c2nc3c(Cl)cccc3[nH]2)CCOC1.
What is the InChIKey of 3-(4-chloro-1H-benzimidazol-2-yl)oxolan-3-amine?
The InChIKey is PZVZKTVQDULHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-7-2-1-3-8-9(7)15-10(14-8)11(13)4-5-16-6-11/h1-3H,4-6,13H2,(H,14,15).
What are the key properties of 3-(4-chloro-1H-benzimidazol-2-yl)oxolan-3-amine?
3-(4-chloro-1H-benzimidazol-2-yl)oxolan-3-amine has a molecular weight of 237.69 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1H-benzimidazol-2-yl)oxolan-3-amine is sourced from PubChem (CID 64888623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).