N-[2-(3H-benzimidazol-5-yl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide

C22H26N4O — CID 46882876

IUPACN-[2-(3H-benzimidazol-5-yl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)NCCc2ccc3nc[nH]c3c2)C1
InChIInChI=1S/C22H26N4O/c1-22(18-6-3-2-4-7-18)11-5-13-26(15-22)21(27)23-12-10-17-8-9-19-20(14-17)25-16-24-19/h2-4,6-9,14,16H,5,10-13,15H2,1H3,(H,23,27)(H,24,25)
InChIKeyGMTQAOXNCHJFPF-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.87
Rot. Bonds4

About N-[2-(3H-benzimidazol-5-yl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide

N-[2-(3H-benzimidazol-5-yl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide (PubChem CID 46882876) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[2-(3H-benzimidazol-5-yl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3H-benzimidazol-5-yl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide
PubChem CID46882876
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[2-(3H-benzimidazol-5-yl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)NCCc2ccc3nc[nH]c3c2)C1
InChIInChI=1S/C22H26N4O/c1-22(18-6-3-2-4-7-18)11-5-13-26(15-22)21(27)23-12-10-17-8-9-19-20(14-17)25-16-24-19/h2-4,6-9,14,16H,5,10-13,15H2,1H3,(H,23,27)(H,24,25)
InChIKeyGMTQAOXNCHJFPF-UHFFFAOYSA-N
XLogP3.87
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(3H-benzimidazol-5-yl)ethylamino]-4-oxobutanoic acid
CID 115163730
N-[[4-(1H-indazol-6-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide
CID 42643842
N-[2-(3H-benzimidazol-5-yl)ethyl]-2-(ethylamino)acetamide
CID 115158058
3H-benzimidazol-5-yl-(4,4-dimethylazepan-1-yl)methanone
CID 65282069
1-[[2-(3H-benzimidazol-5-yl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115243084
N-[2-(3H-benzimidazol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 110791381
N-[2-(3H-benzimidazol-5-yl)ethyl]benzenesulfonamide
CID 110791407
[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]methylurea
CID 119129647
3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride
CID 132889297
[2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea
CID 97141328
(3R)-N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide
CID 96540537
3-methyl-3-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 75463933

Frequently Asked Questions

What is the IUPAC name of N-[2-(3H-benzimidazol-5-yl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(3H-benzimidazol-5-yl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide (CID 46882876) is N-[2-(3H-benzimidazol-5-yl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(3H-benzimidazol-5-yl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(3H-benzimidazol-5-yl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide is CC1(c2ccccc2)CCCN(C(=O)NCCc2ccc3nc[nH]c3c2)C1.
What is the InChIKey of N-[2-(3H-benzimidazol-5-yl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide?
The InChIKey is GMTQAOXNCHJFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-22(18-6-3-2-4-7-18)11-5-13-26(15-22)21(27)23-12-10-17-8-9-19-20(14-17)25-16-24-19/h2-4,6-9,14,16H,5,10-13,15H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-[2-(3H-benzimidazol-5-yl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide?
N-[2-(3H-benzimidazol-5-yl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3H-benzimidazol-5-yl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 46882876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).