N-(3-imidazol-1-ylpropyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide

C20H26N6O — CID 46959580

IUPACN-(3-imidazol-1-ylpropyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
SMILESCn1c(N2CCCC(C(=O)NCCCn3ccnc3)C2)nc2ccccc21
InChIInChI=1S/C20H26N6O/c1-24-18-8-3-2-7-17(18)23-20(24)26-12-4-6-16(14-26)19(27)22-9-5-11-25-13-10-21-15-25/h2-3,7-8,10,13,15-16H,4-6,9,11-12,14H2,1H3,(H,22,27)
InChIKeyKUAYJQIPFSJUBZ-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.19
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide

N-(3-imidazol-1-ylpropyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide (PubChem CID 46959580) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
PubChem CID46959580
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC NameN-(3-imidazol-1-ylpropyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
SMILESCn1c(N2CCCC(C(=O)NCCCn3ccnc3)C2)nc2ccccc21
InChIInChI=1S/C20H26N6O/c1-24-18-8-3-2-7-17(18)23-20(24)26-12-4-6-16(14-26)19(27)22-9-5-11-25-13-10-21-15-25/h2-3,7-8,10,13,15-16H,4-6,9,11-12,14H2,1H3,(H,22,27)
InChIKeyKUAYJQIPFSJUBZ-UHFFFAOYSA-N
XLogP2.19
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-imidazol-1-ylpropyl)-1-methylpiperidine-3-carboxamide
CID 132649483
(3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide
CID 95849384
(3S)-N-(2-ethenoxyethyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 51494599
N-[2-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 16675747
(3R)-N-(3-imidazol-1-ylpropyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 42518410
N-(3-imidazol-1-ylpropyl)-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43925978
N-(3-methoxypropyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46106619
(3S)-N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 27026398
N-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43925980
(3R)-N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 51492751
1-(1-methylbenzimidazol-2-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 126470752
(3S)-N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 93015076

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide (CID 46959580) is N-(3-imidazol-1-ylpropyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide is Cn1c(N2CCCC(C(=O)NCCCn3ccnc3)C2)nc2ccccc21.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide?
The InChIKey is KUAYJQIPFSJUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-24-18-8-3-2-7-17(18)23-20(24)26-12-4-6-16(14-26)19(27)22-9-5-11-25-13-10-21-15-25/h2-3,7-8,10,13,15-16H,4-6,9,11-12,14H2,1H3,(H,22,27).
What are the key properties of N-(3-imidazol-1-ylpropyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide?
N-(3-imidazol-1-ylpropyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 46959580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).