2-(3-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]cyclopropane-1-carboxamide

C21H20BrN3O — CID 49158229

IUPAC2-(3-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]cyclopropane-1-carboxamide
SMILESCn1ccnc1C(NC(=O)C1CC1c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C21H20BrN3O/c1-25-11-10-23-20(25)19(14-6-3-2-4-7-14)24-21(26)18-13-17(18)15-8-5-9-16(22)12-15/h2-12,17-19H,13H2,1H3,(H,24,26)
InChIKeyOLXHEDOFKRTICI-UHFFFAOYSA-N
MW410.32 g/mol
LogP4.19
Rot. Bonds5

About 2-(3-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]cyclopropane-1-carboxamide

2-(3-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]cyclopropane-1-carboxamide (PubChem CID 49158229) has the molecular formula C21H20BrN3O and a molecular weight of 410.32 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]cyclopropane-1-carboxamide
PubChem CID49158229
Molecular FormulaC21H20BrN3O
Molecular Weight410.32 g/mol
Exact Mass409.08
IUPAC Name2-(3-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]cyclopropane-1-carboxamide
SMILESCn1ccnc1C(NC(=O)C1CC1c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C21H20BrN3O/c1-25-11-10-23-20(25)19(14-6-3-2-4-7-14)24-21(26)18-13-17(18)15-8-5-9-16(22)12-15/h2-12,17-19H,13H2,1H3,(H,24,26)
InChIKeyOLXHEDOFKRTICI-UHFFFAOYSA-N
XLogP4.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.32
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 47016416
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 166198555
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylcyclopropane-1-carboxamide
CID 51269204
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide
CID 25341826
trans-(1R,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3-bromophenyl)cyclopropane-1-carboxamide
CID 124787259
cis-(1S,2R)-2-(3-bromophenyl)-N-[(1S)-1-pyridin-4-ylethyl]cyclopropane-1-carboxamide
CID 124729482
trans-(1R,2R)-N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-2-phenylcyclopropane-1-carboxamide
CID 98784985
trans-(1S,2S)-N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]-2-phenylcyclopropane-1-carboxamide
CID 96568567
2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 46512994
(1S)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohex-3-ene-1-carboxamide
CID 25341556
trans-(1S,2S)-2-(3-bromophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 94800328
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18103540

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(3-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]cyclopropane-1-carboxamide (CID 49158229) is 2-(3-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]cyclopropane-1-carboxamide is Cn1ccnc1C(NC(=O)C1CC1c1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 2-(3-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]cyclopropane-1-carboxamide?
The InChIKey is OLXHEDOFKRTICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O/c1-25-11-10-23-20(25)19(14-6-3-2-4-7-14)24-21(26)18-13-17(18)15-8-5-9-16(22)12-15/h2-12,17-19H,13H2,1H3,(H,24,26).
What are the key properties of 2-(3-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]cyclopropane-1-carboxamide?
2-(3-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]cyclopropane-1-carboxamide has a molecular weight of 410.32 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 49158229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).