N-[[4-chloro-3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide

C26H28ClN3O3 — CID 134369592

IUPACN-[[4-chloro-3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N(Cc2ccc(Cl)c(-c3cn4c(n3)CCC4)c2)CC2CC2)cc1OC
InChIInChI=1S/C26H28ClN3O3/c1-32-23-10-8-19(13-24(23)33-2)26(31)30(14-17-5-6-17)15-18-7-9-21(27)20(12-18)22-16-29-11-3-4-25(29)28-22/h7-10,12-13,16-17H,3-6,11,14-15H2,1-2H3
InChIKeyOGXNOTDGKSDMTF-UHFFFAOYSA-N
MW465.98 g/mol
LogP5.22
Rot. Bonds8

About N-[[4-chloro-3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide

N-[[4-chloro-3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide (PubChem CID 134369592) has the molecular formula C26H28ClN3O3 and a molecular weight of 465.98 g/mol. Its IUPAC name is N-[[4-chloro-3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[4-chloro-3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide
PubChem CID134369592
Molecular FormulaC26H28ClN3O3
Molecular Weight465.98 g/mol
Exact Mass465.18
IUPAC NameN-[[4-chloro-3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N(Cc2ccc(Cl)c(-c3cn4c(n3)CCC4)c2)CC2CC2)cc1OC
InChIInChI=1S/C26H28ClN3O3/c1-32-23-10-8-19(13-24(23)33-2)26(31)30(14-17-5-6-17)15-18-7-9-21(27)20(12-18)22-16-29-11-3-4-25(29)28-22/h7-10,12-13,16-17H,3-6,11,14-15H2,1-2H3
InChIKeyOGXNOTDGKSDMTF-UHFFFAOYSA-N
XLogP5.22
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.98
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-chloro-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide
CID 134369591
N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-ethyl-5-methoxy-4-methylbenzamide
CID 153380266
N-[[2-cyclohexyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 134369638
(2S)-N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-phenylpropanamide
CID 134369604
N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)acetamide;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide;2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenylphenyl]methyl]acetamide;N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-ethoxy-N-methylbenzamide;N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-pyrrolidin-1-ylphenyl]methyl]-3-methoxybenzamide
CID 157134320
3,4-dimethoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 24678698
N-(cyclopropylmethyl)-3,4-dimethoxy-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide
CID 42861731
N-[[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]methyl]-3,4,5-trimethoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 42705758
[5-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate
CID 71954855
N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide;N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3,4-dimethoxybenzamide;N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-propan-2-ylbenzamide;N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-phenylacetamide;(E)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-phenylprop-2-enamide;N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]quinoline-8-carboxamide;1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]-5-phenylpentan-3-one
CID 159915452
1-acetyl-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 134369683
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-methylbenzamide
CID 134369647

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-[[4-chloro-3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide (CID 134369592) is N-[[4-chloro-3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[[4-chloro-3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-[[4-chloro-3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)N(Cc2ccc(Cl)c(-c3cn4c(n3)CCC4)c2)CC2CC2)cc1OC.
What is the InChIKey of N-[[4-chloro-3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide?
The InChIKey is OGXNOTDGKSDMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O3/c1-32-23-10-8-19(13-24(23)33-2)26(31)30(14-17-5-6-17)15-18-7-9-21(27)20(12-18)22-16-29-11-3-4-25(29)28-22/h7-10,12-13,16-17H,3-6,11,14-15H2,1-2H3.
What are the key properties of N-[[4-chloro-3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide?
N-[[4-chloro-3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide has a molecular weight of 465.98 g/mol, XLogP of 5.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 134369592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).