4-imidazol-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride

C15H20Cl2N4O — CID 119512079

IUPAC4-imidazol-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCCN1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H18N4O.2ClH/c20-15(18-10-13-2-1-7-17-13)12-3-5-14(6-4-12)19-9-8-16-11-19;;/h3-6,8-9,11,13,17H,1-2,7,10H2,(H,18,20);2*1H
InChIKeyAWOKRSIEXMCURE-UHFFFAOYSA-N
MW343.26 g/mol
LogP2.20
Rot. Bonds4

About 4-imidazol-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride

4-imidazol-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride (PubChem CID 119512079) has the molecular formula C15H20Cl2N4O and a molecular weight of 343.26 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride.

Molecular Properties

Compound Name4-imidazol-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride
PubChem CID119512079
Molecular FormulaC15H20Cl2N4O
Molecular Weight343.26 g/mol
Exact Mass342.10
IUPAC Name4-imidazol-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCCN1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H18N4O.2ClH/c20-15(18-10-13-2-1-7-17-13)12-3-5-14(6-4-12)19-9-8-16-11-19;;/h3-6,8-9,11,13,17H,1-2,7,10H2,(H,18,20);2*1H
InChIKeyAWOKRSIEXMCURE-UHFFFAOYSA-N
XLogP2.20
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
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N-[[(3R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-4-imidazol-1-ylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride?
The IUPAC name of 4-imidazol-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride (CID 119512079) is 4-imidazol-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride.
What is the SMILES notation for 4-imidazol-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride?
The canonical SMILES for 4-imidazol-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride is Cl.Cl.O=C(NCC1CCCN1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 4-imidazol-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride?
The InChIKey is AWOKRSIEXMCURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O.2ClH/c20-15(18-10-13-2-1-7-17-13)12-3-5-14(6-4-12)19-9-8-16-11-19;;/h3-6,8-9,11,13,17H,1-2,7,10H2,(H,18,20);2*1H.
What are the key properties of 4-imidazol-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride?
4-imidazol-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride has a molecular weight of 343.26 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride is sourced from PubChem (CID 119512079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).