1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-N-(oxan-4-ylmethyl)piperidin-4-amine

C26H34N4O2 — CID 45270330

IUPAC1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-N-(oxan-4-ylmethyl)piperidin-4-amine
SMILESCOc1ccc(Cn2c(N3CCC(NCC4CCOCC4)CC3)nc3ccccc32)cc1
InChIInChI=1S/C26H34N4O2/c1-31-23-8-6-21(7-9-23)19-30-25-5-3-2-4-24(25)28-26(30)29-14-10-22(11-15-29)27-18-20-12-16-32-17-13-20/h2-9,20,22,27H,10-19H2,1H3
InChIKeyNMEALLMQARPNTN-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.08
Rot. Bonds7

About 1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-N-(oxan-4-ylmethyl)piperidin-4-amine

1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-N-(oxan-4-ylmethyl)piperidin-4-amine (PubChem CID 45270330) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-N-(oxan-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-N-(oxan-4-ylmethyl)piperidin-4-amine
PubChem CID45270330
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-N-(oxan-4-ylmethyl)piperidin-4-amine
SMILESCOc1ccc(Cn2c(N3CCC(NCC4CCOCC4)CC3)nc3ccccc32)cc1
InChIInChI=1S/C26H34N4O2/c1-31-23-8-6-21(7-9-23)19-30-25-5-3-2-4-24(25)28-26(30)29-14-10-22(11-15-29)27-18-20-12-16-32-17-13-20/h2-9,20,22,27H,10-19H2,1H3
InChIKeyNMEALLMQARPNTN-UHFFFAOYSA-N
XLogP4.08
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71648335
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-methyl-N-(oxan-4-yl)piperidin-4-amine
CID 45269436
2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]acetamide
CID 46106803
tert-butyl N-[(3S)-1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]carbamate
CID 97168181
N-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methyl]benzamide
CID 90040249
1-[(3,5-dimethoxyphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole
CID 78320650
[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 124797078
1-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole
CID 129161888
N-[2-(2,5-dimethoxyphenyl)ethyl]-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20882892
methyl 2-(2-morpholin-4-ylbenzimidazol-1-yl)acetate
CID 66492644
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-ylmethyl)urea
CID 138041433
1-[(4-fluorophenyl)methyl]-N-[1-[3-(4-methoxyphenoxy)propyl]piperidin-4-yl]benzimidazol-2-amine
CID 12891548

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-N-(oxan-4-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-N-(oxan-4-ylmethyl)piperidin-4-amine (CID 45270330) is 1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-N-(oxan-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-N-(oxan-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-N-(oxan-4-ylmethyl)piperidin-4-amine is COc1ccc(Cn2c(N3CCC(NCC4CCOCC4)CC3)nc3ccccc32)cc1.
What is the InChIKey of 1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-N-(oxan-4-ylmethyl)piperidin-4-amine?
The InChIKey is NMEALLMQARPNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-31-23-8-6-21(7-9-23)19-30-25-5-3-2-4-24(25)28-26(30)29-14-10-22(11-15-29)27-18-20-12-16-32-17-13-20/h2-9,20,22,27H,10-19H2,1H3.
What are the key properties of 1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-N-(oxan-4-ylmethyl)piperidin-4-amine?
1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-N-(oxan-4-ylmethyl)piperidin-4-amine has a molecular weight of 434.58 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-N-(oxan-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 45270330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).