2-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline

C24H30N4 — CID 56716738

IUPAC2-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline
SMILESCCn1c(CN2CCCC(N3CCc4ccccc4C3)C2)nc2ccccc21
InChIInChI=1S/C24H30N4/c1-2-28-23-12-6-5-11-22(23)25-24(28)18-26-14-7-10-21(17-26)27-15-13-19-8-3-4-9-20(19)16-27/h3-6,8-9,11-12,21H,2,7,10,13-18H2,1H3
InChIKeyPPHFHIWTJWJUHX-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.08
Rot. Bonds4

About 2-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline

2-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline (PubChem CID 56716738) has the molecular formula C24H30N4 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline
PubChem CID56716738
Molecular FormulaC24H30N4
Molecular Weight374.53 g/mol
Exact Mass374.25
IUPAC Name2-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline
SMILESCCn1c(CN2CCCC(N3CCc4ccccc4C3)C2)nc2ccccc21
InChIInChI=1S/C24H30N4/c1-2-28-23-12-6-5-11-22(23)25-24(28)18-26-14-7-10-21(17-26)27-15-13-19-8-3-4-9-20(19)16-27/h3-6,8-9,11-12,21H,2,7,10,13-18H2,1H3
InChIKeyPPHFHIWTJWJUHX-UHFFFAOYSA-N
XLogP4.08
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-2-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]benzimidazole
CID 45204631
[(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 124820717
3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 45233883
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124831148
[(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 124805524
[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 29185395
1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole
CID 62318122
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 124831327
[(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124913693
(3R)-N-(4-bromophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124831109
(3-chlorophenyl)-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 45232932
(3S)-N-(4-chlorophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124831312

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline (CID 56716738) is 2-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline is CCn1c(CN2CCCC(N3CCc4ccccc4C3)C2)nc2ccccc21.
What is the InChIKey of 2-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is PPHFHIWTJWJUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4/c1-2-28-23-12-6-5-11-22(23)25-24(28)18-26-14-7-10-21(17-26)27-15-13-19-8-3-4-9-20(19)16-27/h3-6,8-9,11-12,21H,2,7,10,13-18H2,1H3.
What are the key properties of 2-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline?
2-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 374.53 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 56716738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).