4-(hydroxymethyl)-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)benzamide

C20H22N4O2 — CID 46982431

IUPAC4-(hydroxymethyl)-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1ccc(CO)cc1)N(CCCn1ccnc1)Cc1cccnc1
InChIInChI=1S/C20H22N4O2/c25-15-17-4-6-19(7-5-17)20(26)24(14-18-3-1-8-21-13-18)11-2-10-23-12-9-22-16-23/h1,3-9,12-13,16,25H,2,10-11,14-15H2
InChIKeyIRZNGOMJMQRHLX-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.50
Rot. Bonds8

About 4-(hydroxymethyl)-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)benzamide

4-(hydroxymethyl)-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 46982431) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID46982431
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-(hydroxymethyl)-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1ccc(CO)cc1)N(CCCn1ccnc1)Cc1cccnc1
InChIInChI=1S/C20H22N4O2/c25-15-17-4-6-19(7-5-17)20(26)24(14-18-3-1-8-21-13-18)11-2-10-23-12-9-22-16-23/h1,3-9,12-13,16,25H,2,10-11,14-15H2
InChIKeyIRZNGOMJMQRHLX-UHFFFAOYSA-N
XLogP2.50
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)spiro[2.2]pentane-2-carboxamide
CID 119069459
trans-(1S,3S)-3-hydroxy-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 91783397
N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-3-ylmethyl)azepane-2-carboxamide
CID 74244457
3-(2,6-diethylphenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea
CID 5112135
(E)-3-(2-aminopyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)prop-2-enamide;formic acid
CID 154912669
N-(furan-3-ylmethyl)-3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 46998655
N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide
CID 56918772
N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)isoquinoline-1-carboxamide
CID 46982202
3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine;oxalic acid
CID 17052847
3-[(4-fluorobenzoyl)-(pyridin-3-ylmethyl)amino]propanoic acid
CID 82324870
3-ethyl-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42699795
4-chloro-N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 74250549

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-(hydroxymethyl)-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)benzamide (CID 46982431) is 4-(hydroxymethyl)-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)benzamide is O=C(c1ccc(CO)cc1)N(CCCn1ccnc1)Cc1cccnc1.
What is the InChIKey of 4-(hydroxymethyl)-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is IRZNGOMJMQRHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-15-17-4-6-19(7-5-17)20(26)24(14-18-3-1-8-21-13-18)11-2-10-23-12-9-22-16-23/h1,3-9,12-13,16,25H,2,10-11,14-15H2.
What are the key properties of 4-(hydroxymethyl)-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)benzamide?
4-(hydroxymethyl)-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 350.42 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 46982431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).