N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine

C27H36N4O — CID 45186972

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine
SMILESCOCCN(Cc1nc2ccccc2n1C)CC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C27H36N4O/c1-29-26-12-6-5-11-25(26)28-27(29)20-30(14-15-32-2)18-21-8-7-13-31(19-21)24-16-22-9-3-4-10-23(22)17-24/h3-6,9-12,21,24H,7-8,13-20H2,1-2H3
InChIKeyUGYNNHVLDNMQLM-UHFFFAOYSA-N
MW432.61 g/mol
LogP3.90
Rot. Bonds8

About N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine (PubChem CID 45186972) has the molecular formula C27H36N4O and a molecular weight of 432.61 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine
PubChem CID45186972
Molecular FormulaC27H36N4O
Molecular Weight432.61 g/mol
Exact Mass432.29
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine
SMILESCOCCN(Cc1nc2ccccc2n1C)CC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C27H36N4O/c1-29-26-12-6-5-11-25(26)28-27(29)20-30(14-15-32-2)18-21-8-7-13-31(19-21)24-16-22-9-3-4-10-23(22)17-24/h3-6,9-12,21,24H,7-8,13-20H2,1-2H3
InChIKeyUGYNNHVLDNMQLM-UHFFFAOYSA-N
XLogP3.90
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 72892920
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(1H-imidazol-2-ylmethyl)-2-methoxyethanamine
CID 31043035
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 45206715
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 45195527
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 45197682
N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(3-fluorophenyl)methyl]-2-methoxyethanamine
CID 25455629
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]ethanamine
CID 45235177
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 45169992
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(3-methyl-1H-indol-2-yl)methyl]ethanamine
CID 45232706
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylpyrazolidin-3-yl)methyl]ethanamine
CID 74610318
2-(benzotriazol-2-yl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide
CID 45172069
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-(2-methoxyethyl)acetamide
CID 97273009

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine (CID 45186972) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine is COCCN(Cc1nc2ccccc2n1C)CC1CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine?
The InChIKey is UGYNNHVLDNMQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O/c1-29-26-12-6-5-11-25(26)28-27(29)20-30(14-15-32-2)18-21-8-7-13-31(19-21)24-16-22-9-3-4-10-23(22)17-24/h3-6,9-12,21,24H,7-8,13-20H2,1-2H3.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine has a molecular weight of 432.61 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 45186972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).