3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)propanoic acid

C14H16N2O2 — CID 60784983

IUPAC3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)propanoic acid
SMILESCc1ccc2c(c1)nc(CCC(=O)O)n2C1CC1
InChIInChI=1S/C14H16N2O2/c1-9-2-5-12-11(8-9)15-13(6-7-14(17)18)16(12)10-3-4-10/h2,5,8,10H,3-4,6-7H2,1H3,(H,17,18)
InChIKeyRBKAXDOFAFYULS-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.70
Rot. Bonds4

About 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)propanoic acid

3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)propanoic acid (PubChem CID 60784983) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)propanoic acid
PubChem CID60784983
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)propanoic acid
SMILESCc1ccc2c(c1)nc(CCC(=O)O)n2C1CC1
InChIInChI=1S/C14H16N2O2/c1-9-2-5-12-11(8-9)15-13(6-7-14(17)18)16(12)10-3-4-10/h2,5,8,10H,3-4,6-7H2,1H3,(H,17,18)
InChIKeyRBKAXDOFAFYULS-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloropropyl)-1-cyclopropyl-5-methylbenzimidazole
CID 60783894
4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)butanoic acid
CID 60784268
2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole
CID 43666518
2-(2-chloroethyl)-1-cycloheptyl-5-methylbenzimidazole
CID 43667427
2-(chloromethyl)-1-cyclobutyl-5-methylbenzimidazole
CID 62413831
1-[(1-cyclopropyl-5-methylbenzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 79846795
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid
CID 7131753
4-(1-ethyl-5-methylbenzimidazol-2-yl)butanoic acid
CID 60784508
1-cyclopropyl-2-(2,2-dimethylpropyl)benzimidazole-5-carboxylic acid
CID 82488600
3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551612
5-[2-(2-chloroethyl)-5-methylbenzimidazol-1-yl]-1-methylpiperidin-2-one
CID 64667815
2-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methylsulfanyl]acetic acid
CID 104570568

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)propanoic acid?
The IUPAC name of 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)propanoic acid (CID 60784983) is 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)propanoic acid?
The canonical SMILES for 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)propanoic acid is Cc1ccc2c(c1)nc(CCC(=O)O)n2C1CC1.
What is the InChIKey of 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)propanoic acid?
The InChIKey is RBKAXDOFAFYULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-2-5-12-11(8-9)15-13(6-7-14(17)18)16(12)10-3-4-10/h2,5,8,10H,3-4,6-7H2,1H3,(H,17,18).
What are the key properties of 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)propanoic acid?
3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)propanoic acid has a molecular weight of 244.29 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)propanoic acid is sourced from PubChem (CID 60784983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).