1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid

C22H17ClN4O3 — CID 155528434

IUPAC1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(COc2ccc(-c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)cn2)CC1
InChIInChI=1S/C22H17ClN4O3/c23-15-3-5-17-18(9-15)27-20(26-17)14-1-4-16(24-11-14)13-2-6-19(25-10-13)30-12-22(7-8-22)21(28)29/h1-6,9-11H,7-8,12H2,(H,26,27)(H,28,29)
InChIKeyPNPKBIAKCJFKKO-UHFFFAOYSA-N
MW420.86 g/mol
LogP4.58
Rot. Bonds6

About 1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid

1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid (PubChem CID 155528434) has the molecular formula C22H17ClN4O3 and a molecular weight of 420.86 g/mol. Its IUPAC name is 1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid
PubChem CID155528434
Molecular FormulaC22H17ClN4O3
Molecular Weight420.86 g/mol
Exact Mass420.10
IUPAC Name1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(COc2ccc(-c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)cn2)CC1
InChIInChI=1S/C22H17ClN4O3/c23-15-3-5-17-18(9-15)27-20(26-17)14-1-4-16(24-11-14)13-2-6-19(25-10-13)30-12-22(7-8-22)21(28)29/h1-6,9-11H,7-8,12H2,(H,26,27)(H,28,29)
InChIKeyPNPKBIAKCJFKKO-UHFFFAOYSA-N
XLogP4.58
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.86
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

3-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid
CID 71730238
4-[[5-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 71571718
2-[4-[[5-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid
CID 71572050
2-[4-[[5-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid
CID 71572051
2-[4-[[5-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid
CID 71572385
2-[4-[[5-[5-(6-cyano-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid
CID 71572386
2-[4-[[5-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid
CID 71572387
4-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]benzoic acid
CID 71730361
4-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 72164409
4-[[5-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 72164530
4-[[5-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 72164531
2-[4-[5-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-yl]pyridin-2-yl]oxycyclohexyl]acetic acid
CID 89582842

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid (CID 155528434) is 1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid is O=C(O)C1(COc2ccc(-c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)cn2)CC1.
What is the InChIKey of 1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid?
The InChIKey is PNPKBIAKCJFKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3/c23-15-3-5-17-18(9-15)27-20(26-17)14-1-4-16(24-11-14)13-2-6-19(25-10-13)30-12-22(7-8-22)21(28)29/h1-6,9-11H,7-8,12H2,(H,26,27)(H,28,29).
What are the key properties of 1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid?
1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid has a molecular weight of 420.86 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 155528434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).