[6-chloro-2-(oxan-2-yl)-1H-benzimidazol-4-yl]methanamine

C13H16ClN3O — CID 123795026

IUPAC[6-chloro-2-(oxan-2-yl)-1H-benzimidazol-4-yl]methanamine
SMILESNCc1cc(Cl)cc2[nH]c(C3CCCCO3)nc12
InChIInChI=1S/C13H16ClN3O/c14-9-5-8(7-15)12-10(6-9)16-13(17-12)11-3-1-2-4-18-11/h5-6,11H,1-4,7,15H2,(H,16,17)
InChIKeyWTQWVPMXHDQSTL-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.92
Rot. Bonds2

About [6-chloro-2-(oxan-2-yl)-1H-benzimidazol-4-yl]methanamine

[6-chloro-2-(oxan-2-yl)-1H-benzimidazol-4-yl]methanamine (PubChem CID 123795026) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is [6-chloro-2-(oxan-2-yl)-1H-benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[6-chloro-2-(oxan-2-yl)-1H-benzimidazol-4-yl]methanamine
PubChem CID123795026
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name[6-chloro-2-(oxan-2-yl)-1H-benzimidazol-4-yl]methanamine
SMILESNCc1cc(Cl)cc2[nH]c(C3CCCCO3)nc12
InChIInChI=1S/C13H16ClN3O/c14-9-5-8(7-15)12-10(6-9)16-13(17-12)11-3-1-2-4-18-11/h5-6,11H,1-4,7,15H2,(H,16,17)
InChIKeyWTQWVPMXHDQSTL-UHFFFAOYSA-N
XLogP2.92
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-2-(oxan-2-yl)-1H-benzimidazol-5-yl]-N-methylmethanamine
CID 123516619
6-bromo-4-methyl-2-(oxan-2-yl)-1H-benzimidazole
CID 104574556
2-(oxan-2-yl)-1H-benzimidazol-4-amine
CID 63694577
6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-2-(oxan-2-yl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 159402120
4-methyl-2-(oxan-2-yl)-1H-benzimidazole-5-carbonitrile
CID 123952783
5,6-dimethoxy-2-(oxan-2-yl)-1H-benzimidazole
CID 62214074
2-(oxolan-2-yl)-1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazole
CID 43168748
6-fluoro-2-(oxan-2-yl)-1H-benzimidazole-5-carbonitrile
CID 123389336
4-chloro-2-methyl-6-[(2S)-oxan-2-yl]pyridine
CID 162412127
6-chloro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-4-amine
CID 104622206
[4-(oxan-2-yl)-3-pyridinyl]methanamine
CID 115019133
[2-(oxan-3-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721251

Frequently Asked Questions

What is the IUPAC name of [6-chloro-2-(oxan-2-yl)-1H-benzimidazol-4-yl]methanamine?
The IUPAC name of [6-chloro-2-(oxan-2-yl)-1H-benzimidazol-4-yl]methanamine (CID 123795026) is [6-chloro-2-(oxan-2-yl)-1H-benzimidazol-4-yl]methanamine.
What is the SMILES notation for [6-chloro-2-(oxan-2-yl)-1H-benzimidazol-4-yl]methanamine?
The canonical SMILES for [6-chloro-2-(oxan-2-yl)-1H-benzimidazol-4-yl]methanamine is NCc1cc(Cl)cc2[nH]c(C3CCCCO3)nc12.
What is the InChIKey of [6-chloro-2-(oxan-2-yl)-1H-benzimidazol-4-yl]methanamine?
The InChIKey is WTQWVPMXHDQSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c14-9-5-8(7-15)12-10(6-9)16-13(17-12)11-3-1-2-4-18-11/h5-6,11H,1-4,7,15H2,(H,16,17).
What are the key properties of [6-chloro-2-(oxan-2-yl)-1H-benzimidazol-4-yl]methanamine?
[6-chloro-2-(oxan-2-yl)-1H-benzimidazol-4-yl]methanamine has a molecular weight of 265.74 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-2-(oxan-2-yl)-1H-benzimidazol-4-yl]methanamine is sourced from PubChem (CID 123795026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).