3-(imidazol-1-ylmethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide

C23H26N4O — CID 47051632

IUPAC3-(imidazol-1-ylmethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(Cn2ccnc2)c1
InChIInChI=1S/C23H26N4O/c1-25(17-21-8-2-3-10-22(21)27-12-4-5-13-27)23(28)20-9-6-7-19(15-20)16-26-14-11-24-18-26/h2-3,6-11,14-15,18H,4-5,12-13,16-17H2,1H3
InChIKeySNAXIVQNNHUFGP-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.80
Rot. Bonds6

About 3-(imidazol-1-ylmethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide

3-(imidazol-1-ylmethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide (PubChem CID 47051632) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
PubChem CID47051632
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name3-(imidazol-1-ylmethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(Cn2ccnc2)c1
InChIInChI=1S/C23H26N4O/c1-25(17-21-8-2-3-10-22(21)27-12-4-5-13-27)23(28)20-9-6-7-19(15-20)16-26-14-11-24-18-26/h2-3,6-11,14-15,18H,4-5,12-13,16-17H2,1H3
InChIKeySNAXIVQNNHUFGP-UHFFFAOYSA-N
XLogP3.80
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazol-1-ylmethyl)-N-methylbenzamide
CID 122157430
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 75484966
3-(dimethylsulfamoyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 43017886
N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 22109708
N-methyl-3-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 47051980
3-(imidazol-1-ylmethyl)-N-methyl-N-(2-methylsulfonylphenyl)benzamide
CID 167746306
ethyl N-[3-[methyl-[(2-piperidin-1-ylphenyl)methyl]carbamoyl]phenyl]carbamate
CID 24551621
3-(imidazol-1-ylmethyl)benzoate
CID 7219979
2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 86909479
4-(methanesulfonamido)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35437808
3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55415889
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55415750

Frequently Asked Questions

What is the IUPAC name of 3-(imidazol-1-ylmethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The IUPAC name of 3-(imidazol-1-ylmethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide (CID 47051632) is 3-(imidazol-1-ylmethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 3-(imidazol-1-ylmethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide is CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(Cn2ccnc2)c1.
What is the InChIKey of 3-(imidazol-1-ylmethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The InChIKey is SNAXIVQNNHUFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-25(17-21-8-2-3-10-22(21)27-12-4-5-13-27)23(28)20-9-6-7-19(15-20)16-26-14-11-24-18-26/h2-3,6-11,14-15,18H,4-5,12-13,16-17H2,1H3.
What are the key properties of 3-(imidazol-1-ylmethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
3-(imidazol-1-ylmethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide has a molecular weight of 374.49 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 47051632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).