4-amino-5-chloro-N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide

C18H24ClN5O2 — CID 54575226

IUPAC4-amino-5-chloro-N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2ncc[nH]2)CC1
InChIInChI=1S/C18H24ClN5O2/c1-26-16-9-15(20)14(19)8-13(16)18(25)23-10-12-2-6-24(7-3-12)11-17-21-4-5-22-17/h4-5,8-9,12H,2-3,6-7,10-11,20H2,1H3,(H,21,22)(H,23,25)
InChIKeyJANPLEIOOUTRAY-UHFFFAOYSA-N
MW377.88 g/mol
LogP2.30
Rot. Bonds6

About 4-amino-5-chloro-N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide

4-amino-5-chloro-N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide (PubChem CID 54575226) has the molecular formula C18H24ClN5O2 and a molecular weight of 377.88 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide
PubChem CID54575226
Molecular FormulaC18H24ClN5O2
Molecular Weight377.88 g/mol
Exact Mass377.16
IUPAC Name4-amino-5-chloro-N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2ncc[nH]2)CC1
InChIInChI=1S/C18H24ClN5O2/c1-26-16-9-15(20)14(19)8-13(16)18(25)23-10-12-2-6-24(7-3-12)11-17-21-4-5-22-17/h4-5,8-9,12H,2-3,6-7,10-11,20H2,1H3,(H,21,22)(H,23,25)
InChIKeyJANPLEIOOUTRAY-UHFFFAOYSA-N
XLogP2.30
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Da-6886
CID 54575171
5-chloro-N-[3-(1H-imidazol-1-yl)propyl]-2-methoxybenzamide
CID 3494964
4-amino-5-chloro-2-methoxy-N-[[1-[3-(2-methylimidazol-1-yl)propyl]piperidin-4-yl]methyl]benzamide
CID 54575168
4-amino-5-chloro-2-methoxy-N-[[1-[5-(triazol-1-yl)pentyl]piperidin-4-yl]methyl]benzamide
CID 54575170
N-((1-(3-(1,2,4-triazol-1-yl)propyl)piperidin-4-yl)methyl)-4-amino-5-chloro-2-methoxybenzamide
CID 66780300
2-(4-Pyrazin-2-ylpiperazin-1-yl)ethyl 4-amino-5-chloro-2-methoxybenzoate
CID 10524522
4-((1-(2-(1H-imidazol-2-yl)ethyl)piperidin-4-yl)(3-methoxyphenyl)amino)-N,N-diethylbenzamide
CID 45485986
4-amino-5-chloro-N-[(3R,4S)-1-(3-imidazol-1-ylpropyl)-3-methoxypiperidin-4-yl]-2-methoxybenzamide
CID 127027397
[5-Chloro-4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-2-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 54754587
5-chloro-4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-2-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 54755909
N-(3-aminopropyl)-5-chloro-4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-2-methoxybenzamide
CID 54756140
5-chloro-2-methoxy-N,N-dimethyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 58539057

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide (CID 54575226) is 4-amino-5-chloro-N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide is COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2ncc[nH]2)CC1.
What is the InChIKey of 4-amino-5-chloro-N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide?
The InChIKey is JANPLEIOOUTRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O2/c1-26-16-9-15(20)14(19)8-13(16)18(25)23-10-12-2-6-24(7-3-12)11-17-21-4-5-22-17/h4-5,8-9,12H,2-3,6-7,10-11,20H2,1H3,(H,21,22)(H,23,25).
What are the key properties of 4-amino-5-chloro-N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide?
4-amino-5-chloro-N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide has a molecular weight of 377.88 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 54575226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).