2-(2-cyclohexyl-1-propylbenzimidazol-5-yl)acetic acid

C18H24N2O2 — CID 82142102

IUPAC2-(2-cyclohexyl-1-propylbenzimidazol-5-yl)acetic acid
SMILESCCCn1c(C2CCCCC2)nc2cc(CC(=O)O)ccc21
InChIInChI=1S/C18H24N2O2/c1-2-10-20-16-9-8-13(12-17(21)22)11-15(16)19-18(20)14-6-4-3-5-7-14/h8-9,11,14H,2-7,10,12H2,1H3,(H,21,22)
InChIKeyZCMGHMVLRJZRTG-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.12
Rot. Bonds5

About 2-(2-cyclohexyl-1-propylbenzimidazol-5-yl)acetic acid

2-(2-cyclohexyl-1-propylbenzimidazol-5-yl)acetic acid (PubChem CID 82142102) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(2-cyclohexyl-1-propylbenzimidazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-cyclohexyl-1-propylbenzimidazol-5-yl)acetic acid
PubChem CID82142102
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-(2-cyclohexyl-1-propylbenzimidazol-5-yl)acetic acid
SMILESCCCn1c(C2CCCCC2)nc2cc(CC(=O)O)ccc21
InChIInChI=1S/C18H24N2O2/c1-2-10-20-16-9-8-13(12-17(21)22)11-15(16)19-18(20)14-6-4-3-5-7-14/h8-9,11,14H,2-7,10,12H2,1H3,(H,21,22)
InChIKeyZCMGHMVLRJZRTG-UHFFFAOYSA-N
XLogP4.12
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-1-propylbenzimidazole-5-carboxylic acid
CID 82483518
2-cycloheptyl-1-propylbenzimidazole-5-carbonitrile
CID 65040307
5-ethyl-2-piperidin-4-yl-1-propylbenzimidazole
CID 82333743
2-[1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-yl]acetic acid
CID 82142230
2-[2-(3-fluorophenyl)-1-propylbenzimidazol-5-yl]acetic acid
CID 94742947
[1-propyl-2-(thiolan-2-yl)benzimidazol-5-yl]methanamine
CID 65038222
2-[2-(2-methoxyphenyl)-1-propylbenzimidazol-5-yl]acetic acid
CID 82142105
(2-cyclooctyl-1-methylbenzimidazol-5-yl)methanamine
CID 65040386
2-(2-cyclobutyl-5-fluorobenzimidazol-1-yl)acetic acid
CID 124926342
2-cyclopentyl-1-ethylbenzimidazol-5-amine
CID 82391011
3-(5-chloro-2-cyclohexylbenzimidazol-1-yl)propan-1-ol
CID 13105617
2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid
CID 82142076

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-1-propylbenzimidazol-5-yl)acetic acid?
The IUPAC name of 2-(2-cyclohexyl-1-propylbenzimidazol-5-yl)acetic acid (CID 82142102) is 2-(2-cyclohexyl-1-propylbenzimidazol-5-yl)acetic acid.
What is the SMILES notation for 2-(2-cyclohexyl-1-propylbenzimidazol-5-yl)acetic acid?
The canonical SMILES for 2-(2-cyclohexyl-1-propylbenzimidazol-5-yl)acetic acid is CCCn1c(C2CCCCC2)nc2cc(CC(=O)O)ccc21.
What is the InChIKey of 2-(2-cyclohexyl-1-propylbenzimidazol-5-yl)acetic acid?
The InChIKey is ZCMGHMVLRJZRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-2-10-20-16-9-8-13(12-17(21)22)11-15(16)19-18(20)14-6-4-3-5-7-14/h8-9,11,14H,2-7,10,12H2,1H3,(H,21,22).
What are the key properties of 2-(2-cyclohexyl-1-propylbenzimidazol-5-yl)acetic acid?
2-(2-cyclohexyl-1-propylbenzimidazol-5-yl)acetic acid has a molecular weight of 300.40 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-1-propylbenzimidazol-5-yl)acetic acid is sourced from PubChem (CID 82142102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).