2-(6-chloro-1H-benzimidazol-2-yl)butan-1-amine

C11H14ClN3 — CID 65221447

IUPAC2-(6-chloro-1H-benzimidazol-2-yl)butan-1-amine
SMILESCCC(CN)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H14ClN3/c1-2-7(6-13)11-14-9-4-3-8(12)5-10(9)15-11/h3-5,7H,2,6,13H2,1H3,(H,14,15)
InChIKeyBDXHJLCSPJJJFX-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.67
Rot. Bonds3

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

2-(6-chloro-1H-benzimidazol-2-yl)butan-1-amine (PubChem CID 65221447) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 2-(6-chloro-1H-benzimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-(6-chloro-1H-benzimidazol-2-yl)butan-1-amine
PubChem CID65221447
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name2-(6-chloro-1H-benzimidazol-2-yl)butan-1-amine
SMILESCCC(CN)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H14ClN3/c1-2-7(6-13)11-14-9-4-3-8(12)5-10(9)15-11/h3-5,7H,2,6,13H2,1H3,(H,14,15)
InChIKeyBDXHJLCSPJJJFX-UHFFFAOYSA-N
XLogP2.67
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine
CID 65220884
(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 66734805
2-(1-bromoethyl)-6-chloro-1H-benzimidazole
CID 82020457
2-[1-(azepan-1-yl)propyl]-6-chloro-1H-benzimidazole
CID 82336262
(1R,2S,3R)-1-(6-chloro-1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol
CID 72947841
(1R,3R)-1-(6-chloro-1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol
CID 118153866
(2-heptan-3-yl-3H-benzimidazol-5-yl)methanamine
CID 79004401
2-heptan-3-yl-3H-benzimidazol-5-amine
CID 43125587
2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propan-1-amine
CID 83976079
4-(6-chloro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine
CID 82683218
2-(2-ethyl-3H-benzimidazol-5-yl)butan-1-amine
CID 82493436
2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine
CID 65233463

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)butan-1-amine?
The IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)butan-1-amine (CID 65221447) is 2-(6-chloro-1H-benzimidazol-2-yl)butan-1-amine.
What is the SMILES notation for 2-(6-chloro-1H-benzimidazol-2-yl)butan-1-amine?
The canonical SMILES for 2-(6-chloro-1H-benzimidazol-2-yl)butan-1-amine is CCC(CN)c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 2-(6-chloro-1H-benzimidazol-2-yl)butan-1-amine?
The InChIKey is BDXHJLCSPJJJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-2-7(6-13)11-14-9-4-3-8(12)5-10(9)15-11/h3-5,7H,2,6,13H2,1H3,(H,14,15).
What are the key properties of 2-(6-chloro-1H-benzimidazol-2-yl)butan-1-amine?
2-(6-chloro-1H-benzimidazol-2-yl)butan-1-amine has a molecular weight of 223.71 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-benzimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 65221447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).