N-cyclopentyl-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine

C15H16N4S — CID 82563289

IUPACN-cyclopentyl-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
SMILESc1csc(-c2ccc3nc(NC4CCCC4)[nH]c3c2)n1
InChIInChI=1S/C15H16N4S/c1-2-4-11(3-1)17-15-18-12-6-5-10(9-13(12)19-15)14-16-7-8-20-14/h5-9,11H,1-4H2,(H2,17,18,19)
InChIKeyBZMSXTPQWPDOLG-UHFFFAOYSA-N
MW284.39 g/mol
LogP4.04
Rot. Bonds3

About N-cyclopentyl-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine

N-cyclopentyl-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine (PubChem CID 82563289) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-cyclopentyl-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
PubChem CID82563289
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-cyclopentyl-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
SMILESc1csc(-c2ccc3nc(NC4CCCC4)[nH]c3c2)n1
InChIInChI=1S/C15H16N4S/c1-2-4-11(3-1)17-15-18-12-6-5-10(9-13(12)19-15)14-16-7-8-20-14/h5-9,11H,1-4H2,(H2,17,18,19)
InChIKeyBZMSXTPQWPDOLG-UHFFFAOYSA-N
XLogP4.04
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine?
The IUPAC name of N-cyclopentyl-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine (CID 82563289) is N-cyclopentyl-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-cyclopentyl-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-cyclopentyl-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine is c1csc(-c2ccc3nc(NC4CCCC4)[nH]c3c2)n1.
What is the InChIKey of N-cyclopentyl-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine?
The InChIKey is BZMSXTPQWPDOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-2-4-11(3-1)17-15-18-12-6-5-10(9-13(12)19-15)14-16-7-8-20-14/h5-9,11H,1-4H2,(H2,17,18,19).
What are the key properties of N-cyclopentyl-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine?
N-cyclopentyl-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine has a molecular weight of 284.39 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 82563289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).