1-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]piperidin-4-amine

C27H31N5O3 — CID 118009784

IUPAC1-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]piperidin-4-amine
SMILESCOc1ccc(COc2ccc(Cn3cnc4cc(N5CCC(N)CC5)ccc43)cc2OC)cn1
InChIInChI=1S/C27H31N5O3/c1-33-26-13-19(3-7-25(26)35-17-20-4-8-27(34-2)29-15-20)16-32-18-30-23-14-22(5-6-24(23)32)31-11-9-21(28)10-12-31/h3-8,13-15,18,21H,9-12,16-17,28H2,1-2H3
InChIKeyCAWSIAKYPLHUPL-UHFFFAOYSA-N
MW473.58 g/mol
LogP4.00
Rot. Bonds8

About 1-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]piperidin-4-amine

1-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]piperidin-4-amine (PubChem CID 118009784) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 1-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]piperidin-4-amine
PubChem CID118009784
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC Name1-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]piperidin-4-amine
SMILESCOc1ccc(COc2ccc(Cn3cnc4cc(N5CCC(N)CC5)ccc43)cc2OC)cn1
InChIInChI=1S/C27H31N5O3/c1-33-26-13-19(3-7-25(26)35-17-20-4-8-27(34-2)29-15-20)16-32-18-30-23-14-22(5-6-24(23)32)31-11-9-21(28)10-12-31/h3-8,13-15,18,21H,9-12,16-17,28H2,1-2H3
InChIKeyCAWSIAKYPLHUPL-UHFFFAOYSA-N
XLogP4.00
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]piperidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridine
CID 150370331
1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-5-amine
CID 62506051
1-[[2-fluoro-5-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-5-iodobenzimidazole
CID 118114013
3-[(3,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole
CID 73442218
3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine
CID 118009817
(8S)-3-[(4-methoxy-3-methylphenyl)methyl]-7,8-dihydro-6H-pyrano[3,2-f]benzimidazol-8-ol
CID 73442569
[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methylcarbamic acid
CID 118389322
1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine
CID 2912108
4-[(5,6-dimethoxybenzimidazol-1-yl)methyl]benzoic acid
CID 94723431
N-(cyclohexylmethyl)-6-[(5,6-dimethoxybenzimidazol-1-yl)methyl]-1,3-benzothiazol-2-amine
CID 71549589
4-[3-[[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyphenyl]methyl]imidazo[4,5-b]pyridin-6-yl]but-3-yn-1-ol
CID 118009845
1-(4-ethoxy-3-methylphenyl)piperidin-4-amine
CID 63214437

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]piperidin-4-amine?
The IUPAC name of 1-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]piperidin-4-amine (CID 118009784) is 1-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]piperidin-4-amine is COc1ccc(COc2ccc(Cn3cnc4cc(N5CCC(N)CC5)ccc43)cc2OC)cn1.
What is the InChIKey of 1-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]piperidin-4-amine?
The InChIKey is CAWSIAKYPLHUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-33-26-13-19(3-7-25(26)35-17-20-4-8-27(34-2)29-15-20)16-32-18-30-23-14-22(5-6-24(23)32)31-11-9-21(28)10-12-31/h3-8,13-15,18,21H,9-12,16-17,28H2,1-2H3.
What are the key properties of 1-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]piperidin-4-amine?
1-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]piperidin-4-amine has a molecular weight of 473.58 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]piperidin-4-amine is sourced from PubChem (CID 118009784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).