N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide

C24H28N4O2 — CID 18120735

IUPACN-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)NCCn2c(C)nc3ccccc32)CC1
InChIInChI=1S/C24H28N4O2/c1-17-7-3-4-8-20(17)24(30)27-14-11-19(12-15-27)23(29)25-13-16-28-18(2)26-21-9-5-6-10-22(21)28/h3-10,19H,11-16H2,1-2H3,(H,25,29)
InChIKeyZRNSPLSVXZSSIY-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.32
Rot. Bonds5

About N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide

N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide (PubChem CID 18120735) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
PubChem CID18120735
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)NCCn2c(C)nc3ccccc32)CC1
InChIInChI=1S/C24H28N4O2/c1-17-7-3-4-8-20(17)24(30)27-14-11-19(12-15-27)23(29)25-13-16-28-18(2)26-21-9-5-6-10-22(21)28/h3-10,19H,11-16H2,1-2H3,(H,25,29)
InChIKeyZRNSPLSVXZSSIY-UHFFFAOYSA-N
XLogP3.32
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 40716679
N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 24554300
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119835377
(2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide
CID 103813344
methyl 1-[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]piperidine-4-carboxylate
CID 111255227
N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 112767751
1-(2-methylbenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602058
1-(2-methylbenzoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
CID 135093383
N-[2-[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111352828
4-(2-amino-2-oxoethyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboxamide
CID 56814187
(3S)-1-cyclopentyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 31849234
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 61274604

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide (CID 18120735) is N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide is Cc1ccccc1C(=O)N1CCC(C(=O)NCCn2c(C)nc3ccccc32)CC1.
What is the InChIKey of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The InChIKey is ZRNSPLSVXZSSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-7-3-4-8-20(17)24(30)27-14-11-19(12-15-27)23(29)25-13-16-28-18(2)26-21-9-5-6-10-22(21)28/h3-10,19H,11-16H2,1-2H3,(H,25,29).
What are the key properties of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide?
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 18120735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).