N-[2-(1H-imidazol-2-yl)ethyl]-4-(pyrrolidin-3-ylmethyl)benzamide;dihydrochloride

C17H24Cl2N4O — CID 171325623

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-4-(pyrrolidin-3-ylmethyl)benzamide;dihydrochloride
SMILESCl.Cl.O=C(NCCc1ncc[nH]1)c1ccc(CC2CCNC2)cc1
InChIInChI=1S/C17H22N4O.2ClH/c22-17(21-8-6-16-19-9-10-20-16)15-3-1-13(2-4-15)11-14-5-7-18-12-14;;/h1-4,9-10,14,18H,5-8,11-12H2,(H,19,20)(H,21,22);2*1H
InChIKeyNHWHLXDZZMDDHN-UHFFFAOYSA-N
MW371.31 g/mol
LogP2.38
Rot. Bonds6

About N-[2-(1H-imidazol-2-yl)ethyl]-4-(pyrrolidin-3-ylmethyl)benzamide;dihydrochloride

N-[2-(1H-imidazol-2-yl)ethyl]-4-(pyrrolidin-3-ylmethyl)benzamide;dihydrochloride (PubChem CID 171325623) has the molecular formula C17H24Cl2N4O and a molecular weight of 371.31 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-4-(pyrrolidin-3-ylmethyl)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-4-(pyrrolidin-3-ylmethyl)benzamide;dihydrochloride
PubChem CID171325623
Molecular FormulaC17H24Cl2N4O
Molecular Weight371.31 g/mol
Exact Mass370.13
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-4-(pyrrolidin-3-ylmethyl)benzamide;dihydrochloride
SMILESCl.Cl.O=C(NCCc1ncc[nH]1)c1ccc(CC2CCNC2)cc1
InChIInChI=1S/C17H22N4O.2ClH/c22-17(21-8-6-16-19-9-10-20-16)15-3-1-13(2-4-15)11-14-5-7-18-12-14;;/h1-4,9-10,14,18H,5-8,11-12H2,(H,19,20)(H,21,22);2*1H
InChIKeyNHWHLXDZZMDDHN-UHFFFAOYSA-N
XLogP2.38
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 97200911
N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 115620204
5-(pyrrolidin-3-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 171708780
4-pyrazol-1-yl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534837
[4-(1H-imidazol-2-yl)piperidin-1-yl]-[4-(piperidin-3-ylmethyl)phenyl]methanone;dihydrochloride
CID 154893197
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-4-[[(3R)-piperidin-3-yl]methyl]benzamide
CID 95730046
4-chloro-N-[4-[[(3R)-pyrrolidin-3-yl]methyl]phenyl]benzamide
CID 124566275
N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]-4-methylbenzamide
CID 115670758
4-(pyrrolidin-3-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 166622779
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-4-(pyrrolidin-3-ylmethyl)benzamide;dihydrochloride?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-4-(pyrrolidin-3-ylmethyl)benzamide;dihydrochloride (CID 171325623) is N-[2-(1H-imidazol-2-yl)ethyl]-4-(pyrrolidin-3-ylmethyl)benzamide;dihydrochloride.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-4-(pyrrolidin-3-ylmethyl)benzamide;dihydrochloride?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-4-(pyrrolidin-3-ylmethyl)benzamide;dihydrochloride is Cl.Cl.O=C(NCCc1ncc[nH]1)c1ccc(CC2CCNC2)cc1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-4-(pyrrolidin-3-ylmethyl)benzamide;dihydrochloride?
The InChIKey is NHWHLXDZZMDDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.2ClH/c22-17(21-8-6-16-19-9-10-20-16)15-3-1-13(2-4-15)11-14-5-7-18-12-14;;/h1-4,9-10,14,18H,5-8,11-12H2,(H,19,20)(H,21,22);2*1H.
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-4-(pyrrolidin-3-ylmethyl)benzamide;dihydrochloride?
N-[2-(1H-imidazol-2-yl)ethyl]-4-(pyrrolidin-3-ylmethyl)benzamide;dihydrochloride has a molecular weight of 371.31 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-4-(pyrrolidin-3-ylmethyl)benzamide;dihydrochloride is sourced from PubChem (CID 171325623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).