N-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine

C24H45N5O — CID 45224592

IUPACN-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine
SMILESCCCCc1ncc(CN(CC2CCN(CCOC)CC2)CC2CCCN2CC)[nH]1
InChIInChI=1S/C24H45N5O/c1-4-6-9-24-25-17-22(26-24)19-28(20-23-8-7-12-29(23)5-2)18-21-10-13-27(14-11-21)15-16-30-3/h17,21,23H,4-16,18-20H2,1-3H3,(H,25,26)
InChIKeyDGZLZVABLGKUSN-UHFFFAOYSA-N
MW419.66 g/mol
LogP3.40
Rot. Bonds13

About N-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine

N-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine (PubChem CID 45224592) has the molecular formula C24H45N5O and a molecular weight of 419.66 g/mol. Its IUPAC name is N-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine
PubChem CID45224592
Molecular FormulaC24H45N5O
Molecular Weight419.66 g/mol
Exact Mass419.36
IUPAC NameN-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine
SMILESCCCCc1ncc(CN(CC2CCN(CCOC)CC2)CC2CCCN2CC)[nH]1
InChIInChI=1S/C24H45N5O/c1-4-6-9-24-25-17-22(26-24)19-28(20-23-8-7-12-29(23)5-2)18-21-10-13-27(14-11-21)15-16-30-3/h17,21,23H,4-16,18-20H2,1-3H3,(H,25,26)
InChIKeyDGZLZVABLGKUSN-UHFFFAOYSA-N
XLogP3.40
TPSA47.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.66
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine with MolForge

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Related Compounds

1-{[2-(Cyclopentylmethyl)-1H-imidazol-4-YL]methyl}-3-(pyrrolidin-1-ylmethyl)piperidin-3-OL
CID 70741424
1-{[2-(Cyclopentylmethyl)-1H-imidazol-4-YL]methyl}-3-(piperidin-1-ylmethyl)pyrrolidin-3-OL
CID 70773840
1-(cyclopropylmethyl)-9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396293
1-(2-Methoxyethyl)-8-[(3-methylimidazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97493559
2-{4-[(2-butyl-1H-imidazol-4-yl)methyl]-1-cyclopentyl-2-piperazinyl}ethanol
CID 45243230
1-(1H-Imidazol-4-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-OL
CID 70710432
1-(1H-imidazol-4-ylmethyl)-4-[1-(1-pyrrolidinyl)ethyl]piperidine
CID 70717894
1-[(2-Methyl-1H-imidazol-4-YL)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-OL
CID 77097401
2,2-dimethylpropyl (5S)-2-[(2-methyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 95215943
(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methoxypiperidine
CID 164637986
4-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-9-(1H-imidazol-5-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 171359864
N-[[2-(3,3-difluorocyclopentyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
CID 114216587

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine?
The IUPAC name of N-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine (CID 45224592) is N-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine.
What is the SMILES notation for N-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine?
The canonical SMILES for N-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine is CCCCc1ncc(CN(CC2CCN(CCOC)CC2)CC2CCCN2CC)[nH]1.
What is the InChIKey of N-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine?
The InChIKey is DGZLZVABLGKUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N5O/c1-4-6-9-24-25-17-22(26-24)19-28(20-23-8-7-12-29(23)5-2)18-21-10-13-27(14-11-21)15-16-30-3/h17,21,23H,4-16,18-20H2,1-3H3,(H,25,26).
What are the key properties of N-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine?
N-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine has a molecular weight of 419.66 g/mol, XLogP of 3.40, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 45224592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).