1-(2-hydroxyethyl)-3-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]benzimidazol-2-one

C27H35N5O4 — CID 71178002

IUPAC1-(2-hydroxyethyl)-3-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]benzimidazol-2-one
SMILESCOc1ccc(CN2CCC(C(=O)N3CCC(n4c(=O)n(CCO)c5ccccc54)CC3)CC2)cn1
InChIInChI=1S/C27H35N5O4/c1-36-25-7-6-20(18-28-25)19-29-12-8-21(9-13-29)26(34)30-14-10-22(11-15-30)32-24-5-3-2-4-23(24)31(16-17-33)27(32)35/h2-7,18,21-22,33H,8-17,19H2,1H3
InChIKeyBASBKJPOPMTHNZ-UHFFFAOYSA-N
MW493.61 g/mol
LogP2.27
Rot. Bonds7

About 1-(2-hydroxyethyl)-3-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]benzimidazol-2-one

1-(2-hydroxyethyl)-3-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]benzimidazol-2-one (PubChem CID 71178002) has the molecular formula C27H35N5O4 and a molecular weight of 493.61 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]benzimidazol-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]benzimidazol-2-one
PubChem CID71178002
Molecular FormulaC27H35N5O4
Molecular Weight493.61 g/mol
Exact Mass493.27
IUPAC Name1-(2-hydroxyethyl)-3-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]benzimidazol-2-one
SMILESCOc1ccc(CN2CCC(C(=O)N3CCC(n4c(=O)n(CCO)c5ccccc54)CC3)CC2)cn1
InChIInChI=1S/C27H35N5O4/c1-36-25-7-6-20(18-28-25)19-29-12-8-21(9-13-29)26(34)30-14-10-22(11-15-30)32-24-5-3-2-4-23(24)31(16-17-33)27(32)35/h2-7,18,21-22,33H,8-17,19H2,1H3
InChIKeyBASBKJPOPMTHNZ-UHFFFAOYSA-N
XLogP2.27
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(2-hydroxyethyl)-3-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]benzimidazol-2-one with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[2-oxo-3-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]benzimidazol-1-yl]acetate
CID 58863186
3-(2-hydroxyethyl)-1-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)benzimidazol-2-one
CID 58863194
1-[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-3-(4,4,4-trifluorobutyl)benzimidazol-2-one
CID 58863165
ethane;ethanol;1-methyl-3-[1-[1-(pyridin-4-ylmethyl)azetidine-3-carbonyl]piperidin-4-yl]benzimidazol-2-one
CID 142839947
1-(3-methoxypropyl)-3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]benzimidazol-2-one;4-methylpyridin-2-amine
CID 142839975
2-[5-[[4-[4-[3-[1-[4-(4-fluorophenyl)phenyl]ethyl]-2-oxobenzimidazol-1-yl]piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]isoindole-1,3-dione
CID 58863182
[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone
CID 134707551
1-[(6-methoxy-3-pyridinyl)methyl]-N-methylpiperidin-4-amine
CID 62994180
1-[1-[1-[1-(2-amino-4-pyridinyl)ethyl]piperidine-4-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)benzimidazol-2-one;methane;1-(2-methoxyethyl)-3-[1-(piperidine-4-carbonyl)piperidin-4-yl]benzimidazol-2-one
CID 158590450
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759844
(1R)-1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-phenylethanol
CID 99955881
(6-methoxy-3-pyridinyl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185123

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]benzimidazol-2-one?
The IUPAC name of 1-(2-hydroxyethyl)-3-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]benzimidazol-2-one (CID 71178002) is 1-(2-hydroxyethyl)-3-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]benzimidazol-2-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]benzimidazol-2-one?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]benzimidazol-2-one is COc1ccc(CN2CCC(C(=O)N3CCC(n4c(=O)n(CCO)c5ccccc54)CC3)CC2)cn1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]benzimidazol-2-one?
The InChIKey is BASBKJPOPMTHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O4/c1-36-25-7-6-20(18-28-25)19-29-12-8-21(9-13-29)26(34)30-14-10-22(11-15-30)32-24-5-3-2-4-23(24)31(16-17-33)27(32)35/h2-7,18,21-22,33H,8-17,19H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-3-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]benzimidazol-2-one?
1-(2-hydroxyethyl)-3-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]benzimidazol-2-one has a molecular weight of 493.61 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]benzimidazol-2-one is sourced from PubChem (CID 71178002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).