2-(cyclopropylmethylamino)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride

C15H20Cl2N4O — CID 119871919

IUPAC2-(cyclopropylmethylamino)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CC1)Nc1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C15H18N4O.2ClH/c20-14(10-16-9-11-4-5-11)19-13-3-1-2-12(8-13)15-17-6-7-18-15;;/h1-3,6-8,11,16H,4-5,9-10H2,(H,17,18)(H,19,20);2*1H
InChIKeyUIYHEQPNEDAMBL-UHFFFAOYSA-N
MW343.26 g/mol
LogP2.86
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride

2-(cyclopropylmethylamino)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride (PubChem CID 119871919) has the molecular formula C15H20Cl2N4O and a molecular weight of 343.26 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride
PubChem CID119871919
Molecular FormulaC15H20Cl2N4O
Molecular Weight343.26 g/mol
Exact Mass342.10
IUPAC Name2-(cyclopropylmethylamino)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CC1)Nc1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C15H18N4O.2ClH/c20-14(10-16-9-11-4-5-11)19-13-3-1-2-12(8-13)15-17-6-7-18-15;;/h1-3,6-8,11,16H,4-5,9-10H2,(H,17,18)(H,19,20);2*1H
InChIKeyUIYHEQPNEDAMBL-UHFFFAOYSA-N
XLogP2.86
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride
CID 119871925
N-[3-(1H-imidazol-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119871944
2-amino-N-[3-(1H-imidazol-2-yl)phenyl]acetamide
CID 110470050
4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutanoic acid
CID 110471079
N-[3-(1H-imidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941815
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride
CID 119708752
N-[3-(1H-imidazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 110726436
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 60868167
cis-methyl (1R,2S)-2-[[3-(1H-imidazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylate
CID 96504504
2-(cyclopropylmethylamino)-N-[3-(1-ethyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119795053
2-(cyclopropylmethylamino)-N-(3-fluorophenyl)acetamide
CID 28566886
(2S,5R)-5-(aminomethyl)-N-[3-(1H-imidazol-2-yl)phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120799547

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride (CID 119871919) is 2-(cyclopropylmethylamino)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride is Cl.Cl.O=C(CNCC1CC1)Nc1cccc(-c2ncc[nH]2)c1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride?
The InChIKey is UIYHEQPNEDAMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O.2ClH/c20-14(10-16-9-11-4-5-11)19-13-3-1-2-12(8-13)15-17-6-7-18-15;;/h1-3,6-8,11,16H,4-5,9-10H2,(H,17,18)(H,19,20);2*1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride?
2-(cyclopropylmethylamino)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride has a molecular weight of 343.26 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride is sourced from PubChem (CID 119871919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).