[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone

C19H23N5O — CID 70750788

IUPAC[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)C1CCCN(Cc2nc3ccccc3n2C)C1
InChIInChI=1S/C19H23N5O/c1-22-11-9-20-19(22)18(25)14-6-5-10-24(12-14)13-17-21-15-7-3-4-8-16(15)23(17)2/h3-4,7-9,11,14H,5-6,10,12-13H2,1-2H3
InChIKeyWHTAHWRVWLUOEH-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.40
Rot. Bonds4

About [1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone

[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 70750788) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is [1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID70750788
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)C1CCCN(Cc2nc3ccccc3n2C)C1
InChIInChI=1S/C19H23N5O/c1-22-11-9-20-19(22)18(25)14-6-5-10-24(12-14)13-17-21-15-7-3-4-8-16(15)23(17)2/h3-4,7-9,11,14H,5-6,10,12-13H2,1-2H3
InChIKeyWHTAHWRVWLUOEH-UHFFFAOYSA-N
XLogP2.40
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124803554
(4-chlorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 45226307
[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 124813623
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124590860
(1-methylimidazol-2-yl)-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 70740554
(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 25286163
(1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone
CID 171914388
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide
CID 124814723
(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 124915385
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide
CID 124814766
(3S)-N-butyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 124803083
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-propylphenyl)piperidine-3-carboxamide
CID 124785350

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone (CID 70750788) is [1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)C1CCCN(Cc2nc3ccccc3n2C)C1.
What is the InChIKey of [1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is WHTAHWRVWLUOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-22-11-9-20-19(22)18(25)14-6-5-10-24(12-14)13-17-21-15-7-3-4-8-16(15)23(17)2/h3-4,7-9,11,14H,5-6,10,12-13H2,1-2H3.
What are the key properties of [1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 337.43 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 70750788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).