4-[1-methyl-2-[(2-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid

C23H26N2O3 — CID 162653198

IUPAC4-[1-methyl-2-[(2-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid
SMILESCc1ccccc1Cc1nc2cc(OC3CCC(C(=O)O)CC3)ccc2n1C
InChIInChI=1S/C23H26N2O3/c1-15-5-3-4-6-17(15)13-22-24-20-14-19(11-12-21(20)25(22)2)28-18-9-7-16(8-10-18)23(26)27/h3-6,11-12,14,16,18H,7-10,13H2,1-2H3,(H,26,27)
InChIKeyHSVUNFQRFYIXGF-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.49
Rot. Bonds5

About 4-[1-methyl-2-[(2-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid

4-[1-methyl-2-[(2-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid (PubChem CID 162653198) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-[1-methyl-2-[(2-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-methyl-2-[(2-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid
PubChem CID162653198
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name4-[1-methyl-2-[(2-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid
SMILESCc1ccccc1Cc1nc2cc(OC3CCC(C(=O)O)CC3)ccc2n1C
InChIInChI=1S/C23H26N2O3/c1-15-5-3-4-6-17(15)13-22-24-20-14-19(11-12-21(20)25(22)2)28-18-9-7-16(8-10-18)23(26)27/h3-6,11-12,14,16,18H,7-10,13H2,1-2H3,(H,26,27)
InChIKeyHSVUNFQRFYIXGF-UHFFFAOYSA-N
XLogP4.49
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-2-[(2-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-[1-methyl-2-[(2-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid (CID 162653198) is 4-[1-methyl-2-[(2-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[1-methyl-2-[(2-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[1-methyl-2-[(2-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid is Cc1ccccc1Cc1nc2cc(OC3CCC(C(=O)O)CC3)ccc2n1C.
What is the InChIKey of 4-[1-methyl-2-[(2-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid?
The InChIKey is HSVUNFQRFYIXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15-5-3-4-6-17(15)13-22-24-20-14-19(11-12-21(20)25(22)2)28-18-9-7-16(8-10-18)23(26)27/h3-6,11-12,14,16,18H,7-10,13H2,1-2H3,(H,26,27).
What are the key properties of 4-[1-methyl-2-[(2-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid?
4-[1-methyl-2-[(2-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid has a molecular weight of 378.47 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-2-[(2-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 162653198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).