4-(benzimidazol-1-yl)-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxylic acid

C23H24N4O2 — CID 70760784

IUPAC4-(benzimidazol-1-yl)-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxylic acid
SMILESCn1c(CN2CCC(C(=O)O)(n3cnc4ccccc43)CC2)cc2ccccc21
InChIInChI=1S/C23H24N4O2/c1-25-18(14-17-6-2-4-8-20(17)25)15-26-12-10-23(11-13-26,22(28)29)27-16-24-19-7-3-5-9-21(19)27/h2-9,14,16H,10-13,15H2,1H3,(H,28,29)
InChIKeyHJOPOHUJNWVUGZ-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.60
Rot. Bonds4

About 4-(benzimidazol-1-yl)-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxylic acid

4-(benzimidazol-1-yl)-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 70760784) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxylic acid
PubChem CID70760784
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name4-(benzimidazol-1-yl)-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxylic acid
SMILESCn1c(CN2CCC(C(=O)O)(n3cnc4ccccc43)CC2)cc2ccccc21
InChIInChI=1S/C23H24N4O2/c1-25-18(14-17-6-2-4-8-20(17)25)15-26-12-10-23(11-13-26,22(28)29)27-16-24-19-7-3-5-9-21(19)27/h2-9,14,16H,10-13,15H2,1H3,(H,28,29)
InChIKeyHJOPOHUJNWVUGZ-UHFFFAOYSA-N
XLogP3.60
TPSA63.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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4-[(1-methylindol-2-yl)methyl]piperazine-1-carboxylic acid
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4-(benzimidazol-1-yl)-1-pyridin-4-ylpiperidine-4-carboxylic acid
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4-(benzimidazol-1-yl)-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid
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4-(benzimidazol-1-yl)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 56901275
4-[(1-methylindol-2-yl)methyl]morpholine
CID 117173146
4-(benzimidazol-1-yl)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxylic acid
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4-(benzimidazol-1-yl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid
CID 70772086
(E)-3-[1'-[(1-methylindol-2-yl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enoic acid
CID 66932461
acetic acid;2-ethyl-1-methylindole
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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-(benzimidazol-1-yl)-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxylic acid (CID 70760784) is 4-(benzimidazol-1-yl)-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(benzimidazol-1-yl)-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-(benzimidazol-1-yl)-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxylic acid is Cn1c(CN2CCC(C(=O)O)(n3cnc4ccccc43)CC2)cc2ccccc21.
What is the InChIKey of 4-(benzimidazol-1-yl)-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is HJOPOHUJNWVUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-25-18(14-17-6-2-4-8-20(17)25)15-26-12-10-23(11-13-26,22(28)29)27-16-24-19-7-3-5-9-21(19)27/h2-9,14,16H,10-13,15H2,1H3,(H,28,29).
What are the key properties of 4-(benzimidazol-1-yl)-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxylic acid?
4-(benzimidazol-1-yl)-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 388.47 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 70760784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).