2-(4-chloro-1H-benzimidazol-2-yl)pentan-2-amine

C12H16ClN3 — CID 60787749

IUPAC2-(4-chloro-1H-benzimidazol-2-yl)pentan-2-amine
SMILESCCCC(C)(N)c1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C12H16ClN3/c1-3-7-12(2,14)11-15-9-6-4-5-8(13)10(9)16-11/h4-6H,3,7,14H2,1-2H3,(H,15,16)
InChIKeyTWKVAUGAFJLXFA-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.19
Rot. Bonds3

About 2-(4-chloro-1H-benzimidazol-2-yl)pentan-2-amine

2-(4-chloro-1H-benzimidazol-2-yl)pentan-2-amine (PubChem CID 60787749) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-(4-chloro-1H-benzimidazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name2-(4-chloro-1H-benzimidazol-2-yl)pentan-2-amine
PubChem CID60787749
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name2-(4-chloro-1H-benzimidazol-2-yl)pentan-2-amine
SMILESCCCC(C)(N)c1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C12H16ClN3/c1-3-7-12(2,14)11-15-9-6-4-5-8(13)10(9)16-11/h4-6H,3,7,14H2,1-2H3,(H,15,16)
InChIKeyTWKVAUGAFJLXFA-UHFFFAOYSA-N
XLogP3.19
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1H-benzimidazol-2-yl)pentan-2-amine?
The IUPAC name of 2-(4-chloro-1H-benzimidazol-2-yl)pentan-2-amine (CID 60787749) is 2-(4-chloro-1H-benzimidazol-2-yl)pentan-2-amine.
What is the SMILES notation for 2-(4-chloro-1H-benzimidazol-2-yl)pentan-2-amine?
The canonical SMILES for 2-(4-chloro-1H-benzimidazol-2-yl)pentan-2-amine is CCCC(C)(N)c1nc2c(Cl)cccc2[nH]1.
What is the InChIKey of 2-(4-chloro-1H-benzimidazol-2-yl)pentan-2-amine?
The InChIKey is TWKVAUGAFJLXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-3-7-12(2,14)11-15-9-6-4-5-8(13)10(9)16-11/h4-6H,3,7,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-chloro-1H-benzimidazol-2-yl)pentan-2-amine?
2-(4-chloro-1H-benzimidazol-2-yl)pentan-2-amine has a molecular weight of 237.73 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1H-benzimidazol-2-yl)pentan-2-amine is sourced from PubChem (CID 60787749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).