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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Related Compounds

3-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropanoic acid
CID 83868022
2-[1-[(7-chloro-1,3-benzoxazol-2-yl)methyl]cyclohexyl]acetic acid
CID 81422591
2-[1-[[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]cyclopentyl]acetic acid
CID 79817625
4-chloro-2-(cycloheptylmethyl)-1H-benzimidazole
CID 114458303
N-(4-chloro-1H-benzimidazol-2-yl)spiro[2.4]heptane-2-carboxamide
CID 154800425
N-[(4-chloro-1H-benzimidazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 60787932
N-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopropanamine
CID 60837999
2-[1-[(2,6-dioxo-3,7-dihydropurin-8-yl)methyl]cyclopentyl]acetic acid
CID 114401863
4-chloro-1H-benzimidazole-2-carboxamide
CID 175457980
4-chloro-2-[(4-fluorophenyl)methyl]-1H-benzimidazole
CID 60978001
4-chloro-2-(pyridin-4-ylmethyl)-1H-benzimidazole
CID 60978006
2-[1-[(4-methyl-1,3-benzoxazol-2-yl)methyl]cyclohexyl]acetic acid
CID 61037452

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).