2-[1-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopentyl]acetic acid

C15H17ClN2O2 — CID 61071695

IUPAC2-[1-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(Cc2nc3c(Cl)cccc3[nH]2)CCCC1
InChIInChI=1S/C15H17ClN2O2/c16-10-4-3-5-11-14(10)18-12(17-11)8-15(9-13(19)20)6-1-2-7-15/h3-5H,1-2,6-9H2,(H,17,18)(H,19,20)
InChIKeyNBHBXNOKCCWNBY-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.79
Rot. Bonds4

About 2-[1-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopentyl]acetic acid

2-[1-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopentyl]acetic acid (PubChem CID 61071695) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-[1-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopentyl]acetic acid
PubChem CID61071695
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name2-[1-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(Cc2nc3c(Cl)cccc3[nH]2)CCCC1
InChIInChI=1S/C15H17ClN2O2/c16-10-4-3-5-11-14(10)18-12(17-11)8-15(9-13(19)20)6-1-2-7-15/h3-5H,1-2,6-9H2,(H,17,18)(H,19,20)
InChIKeyNBHBXNOKCCWNBY-UHFFFAOYSA-N
XLogP3.79
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopentyl]acetic acid (CID 61071695) is 2-[1-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopentyl]acetic acid is O=C(O)CC1(Cc2nc3c(Cl)cccc3[nH]2)CCCC1.
What is the InChIKey of 2-[1-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopentyl]acetic acid?
The InChIKey is NBHBXNOKCCWNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-10-4-3-5-11-14(10)18-12(17-11)8-15(9-13(19)20)6-1-2-7-15/h3-5H,1-2,6-9H2,(H,17,18)(H,19,20).
What are the key properties of 2-[1-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopentyl]acetic acid?
2-[1-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopentyl]acetic acid has a molecular weight of 292.77 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61071695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).