4-chloro-2-pentan-2-yl-1H-benzimidazole

C12H15ClN2 — CID 60978644

IUPAC4-chloro-2-pentan-2-yl-1H-benzimidazole
SMILESCCCC(C)c1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C12H15ClN2/c1-3-5-8(2)12-14-10-7-4-6-9(13)11(10)15-12/h4,6-8H,3,5H2,1-2H3,(H,14,15)
InChIKeyNIORABFYBSBFKH-UHFFFAOYSA-N
MW222.72 g/mol
LogP4.12
Rot. Bonds3

About 4-chloro-2-pentan-2-yl-1H-benzimidazole

4-chloro-2-pentan-2-yl-1H-benzimidazole (PubChem CID 60978644) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 4-chloro-2-pentan-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name4-chloro-2-pentan-2-yl-1H-benzimidazole
PubChem CID60978644
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name4-chloro-2-pentan-2-yl-1H-benzimidazole
SMILESCCCC(C)c1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C12H15ClN2/c1-3-5-8(2)12-14-10-7-4-6-9(13)11(10)15-12/h4,6-8H,3,5H2,1-2H3,(H,14,15)
InChIKeyNIORABFYBSBFKH-UHFFFAOYSA-N
XLogP4.12
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(4-chloro-1H-benzimidazol-2-yl)propan-1-amine
CID 94542564
4-(4-chloro-1H-benzimidazol-2-yl)pentan-1-amine
CID 104683345
4-chloro-2-(1-phenylpropyl)-1H-benzimidazole
CID 64724538
4-chloro-2-ethoxy-1H-benzimidazole
CID 69014735
(2R)-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine
CID 94542551
2-(4-bromo-1H-benzimidazol-2-yl)propan-1-amine
CID 83866913
2-(4-chloro-1H-benzimidazol-2-yl)pentan-2-amine
CID 60787749
2-pentan-2-yl-3H-benzimidazol-5-ol
CID 81431667
2-pentan-2-yl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821838
3-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropanoic acid
CID 83868022
N-ethyl-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine
CID 62852421
ethyl-[1-(4-methyl-1H-benzimidazol-2-yl)ethyl]diazene
CID 123493983

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pentan-2-yl-1H-benzimidazole?
The IUPAC name of 4-chloro-2-pentan-2-yl-1H-benzimidazole (CID 60978644) is 4-chloro-2-pentan-2-yl-1H-benzimidazole.
What is the SMILES notation for 4-chloro-2-pentan-2-yl-1H-benzimidazole?
The canonical SMILES for 4-chloro-2-pentan-2-yl-1H-benzimidazole is CCCC(C)c1nc2c(Cl)cccc2[nH]1.
What is the InChIKey of 4-chloro-2-pentan-2-yl-1H-benzimidazole?
The InChIKey is NIORABFYBSBFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-3-5-8(2)12-14-10-7-4-6-9(13)11(10)15-12/h4,6-8H,3,5H2,1-2H3,(H,14,15).
What are the key properties of 4-chloro-2-pentan-2-yl-1H-benzimidazole?
4-chloro-2-pentan-2-yl-1H-benzimidazole has a molecular weight of 222.72 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-pentan-2-yl-1H-benzimidazole is sourced from PubChem (CID 60978644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).