2-ethyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-5-carboxylic acid

C15H18N2O2 — CID 114101513

IUPAC2-ethyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-5-carboxylic acid
SMILESCCc1nc2cc(C(=O)O)ccc2n1CC1(C)CC1
InChIInChI=1S/C15H18N2O2/c1-3-13-16-11-8-10(14(18)19)4-5-12(11)17(13)9-15(2)6-7-15/h4-5,8H,3,6-7,9H2,1-2H3,(H,18,19)
InChIKeyBNSPNLUATFCBSN-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.10
Rot. Bonds4

About 2-ethyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-5-carboxylic acid

2-ethyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-5-carboxylic acid (PubChem CID 114101513) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-ethyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-5-carboxylic acid
PubChem CID114101513
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-ethyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-5-carboxylic acid
SMILESCCc1nc2cc(C(=O)O)ccc2n1CC1(C)CC1
InChIInChI=1S/C15H18N2O2/c1-3-13-16-11-8-10(14(18)19)4-5-12(11)17(13)9-15(2)6-7-15/h4-5,8H,3,6-7,9H2,1-2H3,(H,18,19)
InChIKeyBNSPNLUATFCBSN-UHFFFAOYSA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-3-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid
CID 82774230
2-ethyl-1-[(2-methylthiolan-2-yl)methyl]benzimidazole-5-carboxylic acid
CID 80723956
2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid
CID 63830134
2-ethyl-1-(1-methylcyclopentyl)benzimidazole-5-carboxylic acid
CID 64688633
2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole-5-carboxylic acid
CID 106217017
2-ethyl-1-(oxan-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 63711769
2-ethyl-1-(2-pyrazol-1-ylethyl)benzimidazole-5-carboxylic acid
CID 61460804
2-ethyl-1-(4-hydroxy-2-methylbutyl)benzimidazole-5-carboxylic acid
CID 66107371
2-ethyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazole-5-carboxylic acid
CID 63295630
2-ethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 63246728
2-ethyl-1-(3-propoxypropyl)benzimidazole-5-carboxylic acid
CID 82940831
2-(2-chloroethyl)-1-ethylbenzimidazole-5-carboxylic acid
CID 100586866

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 2-ethyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-5-carboxylic acid (CID 114101513) is 2-ethyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-5-carboxylic acid is CCc1nc2cc(C(=O)O)ccc2n1CC1(C)CC1.
What is the InChIKey of 2-ethyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-5-carboxylic acid?
The InChIKey is BNSPNLUATFCBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-13-16-11-8-10(14(18)19)4-5-12(11)17(13)9-15(2)6-7-15/h4-5,8H,3,6-7,9H2,1-2H3,(H,18,19).
What are the key properties of 2-ethyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-5-carboxylic acid?
2-ethyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-5-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 114101513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).