cis-(1S,2R)-2-N-(4-chlorophenyl)-1-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]cyclohexane-1,2-dicarboxamide

C23H29ClN4O2 — CID 131949598

IUPACcis-(1S,2R)-2-N-(4-chlorophenyl)-1-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]cyclohexane-1,2-dicarboxamide
SMILESCc1nccn1CC1(CNC(=O)[C@H]2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H29ClN4O2/c1-16-25-12-13-28(16)15-23(10-11-23)14-26-21(29)19-4-2-3-5-20(19)22(30)27-18-8-6-17(24)7-9-18/h6-9,12-13,19-20H,2-5,10-11,14-15H2,1H3,(H,26,29)(H,27,30)/t19-,20+/m0/s1
InChIKeyFBPYFRCNPIVLCR-VQTJNVASSA-N
MW428.96 g/mol
LogP4.19
Rot. Bonds7

About cis-(1S,2R)-2-N-(4-chlorophenyl)-1-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]cyclohexane-1,2-dicarboxamide

cis-(1S,2R)-2-N-(4-chlorophenyl)-1-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]cyclohexane-1,2-dicarboxamide (PubChem CID 131949598) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is cis-(1S,2R)-2-N-(4-chlorophenyl)-1-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]cyclohexane-1,2-dicarboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-N-(4-chlorophenyl)-1-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]cyclohexane-1,2-dicarboxamide
PubChem CID131949598
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC Namecis-(1S,2R)-2-N-(4-chlorophenyl)-1-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]cyclohexane-1,2-dicarboxamide
SMILESCc1nccn1CC1(CNC(=O)[C@H]2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H29ClN4O2/c1-16-25-12-13-28(16)15-23(10-11-23)14-26-21(29)19-4-2-3-5-20(19)22(30)27-18-8-6-17(24)7-9-18/h6-9,12-13,19-20H,2-5,10-11,14-15H2,1H3,(H,26,29)(H,27,30)/t19-,20+/m0/s1
InChIKeyFBPYFRCNPIVLCR-VQTJNVASSA-N
XLogP4.19
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopentyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1,4-diazepane-1-carboxamide
CID 122563164
1-(2-amino-2-oxoethyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]piperidine-3-carboxamide
CID 46989541
cis-(1R,2S)-2-N-(4-chlorophenyl)-1-N-(3-hydroxypropyl)cyclohexane-1,2-dicarboxamide
CID 166390357
cis-(1R,2S)-2-N-(4-chlorophenyl)-1-N-(1H-pyrazol-5-ylmethyl)cyclohexane-1,2-dicarboxamide
CID 164642855
1-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-3-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]urea
CID 118776982
N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 122566518
1-N-(4-chlorophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132096
N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide
CID 77092907
3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1-propylpyrazole-4-carboxamide
CID 72885985
2-(dimethylamino)-2-(3-fluorophenyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]acetamide
CID 72928509
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]acetamide
CID 97207873
acetic acid;2-(2-aminoethoxy)-5-fluoro-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]benzamide
CID 154904996

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-N-(4-chlorophenyl)-1-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]cyclohexane-1,2-dicarboxamide?
The IUPAC name of cis-(1S,2R)-2-N-(4-chlorophenyl)-1-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]cyclohexane-1,2-dicarboxamide (CID 131949598) is cis-(1S,2R)-2-N-(4-chlorophenyl)-1-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]cyclohexane-1,2-dicarboxamide.
What is the SMILES notation for cis-(1S,2R)-2-N-(4-chlorophenyl)-1-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]cyclohexane-1,2-dicarboxamide?
The canonical SMILES for cis-(1S,2R)-2-N-(4-chlorophenyl)-1-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]cyclohexane-1,2-dicarboxamide is Cc1nccn1CC1(CNC(=O)[C@H]2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of cis-(1S,2R)-2-N-(4-chlorophenyl)-1-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]cyclohexane-1,2-dicarboxamide?
The InChIKey is FBPYFRCNPIVLCR-VQTJNVASSA-N. The full InChI is InChI=1S/C23H29ClN4O2/c1-16-25-12-13-28(16)15-23(10-11-23)14-26-21(29)19-4-2-3-5-20(19)22(30)27-18-8-6-17(24)7-9-18/h6-9,12-13,19-20H,2-5,10-11,14-15H2,1H3,(H,26,29)(H,27,30)/t19-,20+/m0/s1.
What are the key properties of cis-(1S,2R)-2-N-(4-chlorophenyl)-1-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]cyclohexane-1,2-dicarboxamide?
cis-(1S,2R)-2-N-(4-chlorophenyl)-1-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]cyclohexane-1,2-dicarboxamide has a molecular weight of 428.96 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-N-(4-chlorophenyl)-1-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]cyclohexane-1,2-dicarboxamide is sourced from PubChem (CID 131949598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).