2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzamide

C25H25N3O2 — CID 155557117

IUPAC2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzamide
SMILESCCCc1nc2c(OC)cccc2n1Cc1ccc(-c2ccccc2C(N)=O)cc1
InChIInChI=1S/C25H25N3O2/c1-3-7-23-27-24-21(10-6-11-22(24)30-2)28(23)16-17-12-14-18(15-13-17)19-8-4-5-9-20(19)25(26)29/h4-6,8-15H,3,7,16H2,1-2H3,(H2,26,29)
InChIKeyYTRPMLQXADZFBU-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.81
Rot. Bonds7

About 2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzamide

2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzamide (PubChem CID 155557117) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzamide
PubChem CID155557117
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzamide
SMILESCCCc1nc2c(OC)cccc2n1Cc1ccc(-c2ccccc2C(N)=O)cc1
InChIInChI=1S/C25H25N3O2/c1-3-7-23-27-24-21(10-6-11-22(24)30-2)28(23)16-17-12-14-18(15-13-17)19-8-4-5-9-20(19)25(26)29/h4-6,8-15H,3,7,16H2,1-2H3,(H2,26,29)
InChIKeyYTRPMLQXADZFBU-UHFFFAOYSA-N
XLogP4.81
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-Difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-methoxy-benzimidazole
CID 492672
Pad2-IN-2
CID 134580796
1-Benzyl-7-methoxy-2-piperazin-1-ylbenzimidazole
CID 11723654
4-(4-{3-[2-Phenoxymethyl-4-(3-piperidin-1-yl-propoxy)-benzoimidazol-1-yl]-propyl}-piperidin-1-yl)-1-phenyl-butan-1-one
CID 44372383
3-(4-{3-[2-Phenoxymethyl-4-(3-piperidin-1-yl-propoxy)-benzoimidazol-1-yl]-propyl}-piperidin-1-yl)-1-phenyl-propan-1-one
CID 44372384
4-{(E)-2-[({[3-(2-Dimethylamino-1-methyl-1H-benzoimidazol-4-yloxymethyl)-2,4-dimethyl-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
CID 10531338
4-{(E)-2-[({[3-(2-Acetyl-1-methyl-1H-benzoimidazol-4-yloxymethyl)-2,4-dimethyl-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
CID 10555263
4-{(E)-2-[({[3-(2-Methoxymethyl-1-methyl-1H-benzoimidazol-4-yloxymethyl)-2,4-dimethyl-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
CID 10627129
4-{(E)-2-[({[3-(2-Methoxy-1-methyl-1H-benzoimidazol-4-yloxymethyl)-2,4-dimethyl-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
CID 10721752
4-{(E)-2-[({[2,4-Dimethyl-3-(1-methyl-2-methylsulfanyl-1H-benzoimidazol-4-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
CID 10745895
4-{(E)-2-[({[2,4-Dimethyl-3-(1-methyl-2-methylamino-1H-benzoimidazol-4-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
CID 10793125
2-(4-isopropylphenyl)-7-methoxy-1-(2-methoxyethyl)-4-methyl-1H-benzo[d]imidazole
CID 11427732

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzamide?
The IUPAC name of 2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzamide (CID 155557117) is 2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzamide?
The canonical SMILES for 2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzamide is CCCc1nc2c(OC)cccc2n1Cc1ccc(-c2ccccc2C(N)=O)cc1.
What is the InChIKey of 2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzamide?
The InChIKey is YTRPMLQXADZFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-3-7-23-27-24-21(10-6-11-22(24)30-2)28(23)16-17-12-14-18(15-13-17)19-8-4-5-9-20(19)25(26)29/h4-6,8-15H,3,7,16H2,1-2H3,(H2,26,29).
What are the key properties of 2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzamide?
2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzamide has a molecular weight of 399.49 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxy-2-propylbenzimidazol-1-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 155557117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).