3-(6-chloro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine

C11H14ClN3O — CID 103153939

IUPAC3-(6-chloro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine
SMILESCOC(CN)Cc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H14ClN3O/c1-16-8(6-13)5-11-14-9-3-2-7(12)4-10(9)15-11/h2-4,8H,5-6,13H2,1H3,(H,14,15)
InChIKeyBZMOFLXMIMHCLZ-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.73
Rot. Bonds4

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

3-(6-chloro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine (PubChem CID 103153939) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 3-(6-chloro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine.

Molecular Properties

Compound Name3-(6-chloro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine
PubChem CID103153939
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name3-(6-chloro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine
SMILESCOC(CN)Cc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H14ClN3O/c1-16-8(6-13)5-11-14-9-3-2-7(12)4-10(9)15-11/h2-4,8H,5-6,13H2,1H3,(H,14,15)
InChIKeyBZMOFLXMIMHCLZ-UHFFFAOYSA-N
XLogP1.73
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(6-chloro-1H-benzimidazol-2-yl)-2-methoxypropan-1-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

3-(5,6-difluoro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153947
3-(3H-imidazo[4,5-c]pyridin-2-yl)-2-methoxypropan-1-amine
CID 103153991
4-(6-chloro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine
CID 82683218
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153941
2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride
CID 46736450
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
2-(6-chloro-1H-benzimidazol-2-yl)butan-1-amine
CID 65221447
2-methoxy-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)propan-1-amine
CID 103154004
(2R)-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 95203794
2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
CID 64725128
6-chloro-2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole
CID 60648883
6-chloro-2-(cyclopropylmethyl)-1H-benzimidazole
CID 64724517

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine?
The IUPAC name of 3-(6-chloro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine (CID 103153939) is 3-(6-chloro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine.
What is the SMILES notation for 3-(6-chloro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine?
The canonical SMILES for 3-(6-chloro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine is COC(CN)Cc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 3-(6-chloro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine?
The InChIKey is BZMOFLXMIMHCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-16-8(6-13)5-11-14-9-3-2-7(12)4-10(9)15-11/h2-4,8H,5-6,13H2,1H3,(H,14,15).
What are the key properties of 3-(6-chloro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine?
3-(6-chloro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine has a molecular weight of 239.71 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine is sourced from PubChem (CID 103153939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).