6-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine

C12H14ClN3O — CID 82728094

IUPAC6-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
SMILESCC1OCCC1n1c(N)nc2ccc(Cl)cc21
InChIInChI=1S/C12H14ClN3O/c1-7-10(4-5-17-7)16-11-6-8(13)2-3-9(11)15-12(16)14/h2-3,6-7,10H,4-5H2,1H3,(H2,14,15)
InChIKeyCXRSFOCQSRJLDE-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.62
Rot. Bonds1

About 6-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine

6-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine (PubChem CID 82728094) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 6-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
PubChem CID82728094
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name6-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
SMILESCC1OCCC1n1c(N)nc2ccc(Cl)cc21
InChIInChI=1S/C12H14ClN3O/c1-7-10(4-5-17-7)16-11-6-8(13)2-3-9(11)15-12(16)14/h2-3,6-7,10H,4-5H2,1H3,(H2,14,15)
InChIKeyCXRSFOCQSRJLDE-UHFFFAOYSA-N
XLogP2.62
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-6-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
CID 82729176
5-iodo-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
CID 82729283
5-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
CID 82729284
7-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
CID 82728859
4,6-difluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
CID 82727870
5-methoxy-3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-amine
CID 82728092
6-chloro-1-(2,6-dimethylpiperidin-1-yl)benzimidazol-2-amine
CID 83018887
6-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine
CID 113316180
5-chloro-1-(2-methoxycyclopentyl)benzimidazol-2-amine
CID 62086492
5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylaniline
CID 115473239
5-chloro-6-fluoro-1-(2-methylcyclohexyl)benzimidazol-2-amine
CID 66079071
6-bromo-1-(2-ethylcyclohexyl)benzimidazol-2-amine
CID 65347461

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine?
The IUPAC name of 6-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine (CID 82728094) is 6-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine?
The canonical SMILES for 6-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine is CC1OCCC1n1c(N)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine?
The InChIKey is CXRSFOCQSRJLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-7-10(4-5-17-7)16-11-6-8(13)2-3-9(11)15-12(16)14/h2-3,6-7,10H,4-5H2,1H3,(H2,14,15).
What are the key properties of 6-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine?
6-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine has a molecular weight of 251.72 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine is sourced from PubChem (CID 82728094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).