N-[2-[(2-methylimidazol-1-yl)methyl]-1-propylbenzimidazol-5-yl]benzamide

C22H23N5O — CID 46263421

IUPACN-[2-[(2-methylimidazol-1-yl)methyl]-1-propylbenzimidazol-5-yl]benzamide
SMILESCCCn1c(Cn2ccnc2C)nc2cc(NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C22H23N5O/c1-3-12-27-20-10-9-18(24-22(28)17-7-5-4-6-8-17)14-19(20)25-21(27)15-26-13-11-23-16(26)2/h4-11,13-14H,3,12,15H2,1-2H3,(H,24,28)
InChIKeyPGAQMLRCBADWGQ-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.25
Rot. Bonds6

About N-[2-[(2-methylimidazol-1-yl)methyl]-1-propylbenzimidazol-5-yl]benzamide

N-[2-[(2-methylimidazol-1-yl)methyl]-1-propylbenzimidazol-5-yl]benzamide (PubChem CID 46263421) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[2-[(2-methylimidazol-1-yl)methyl]-1-propylbenzimidazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-[(2-methylimidazol-1-yl)methyl]-1-propylbenzimidazol-5-yl]benzamide
PubChem CID46263421
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-[2-[(2-methylimidazol-1-yl)methyl]-1-propylbenzimidazol-5-yl]benzamide
SMILESCCCn1c(Cn2ccnc2C)nc2cc(NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C22H23N5O/c1-3-12-27-20-10-9-18(24-22(28)17-7-5-4-6-8-17)14-19(20)25-21(27)15-26-13-11-23-16(26)2/h4-11,13-14H,3,12,15H2,1-2H3,(H,24,28)
InChIKeyPGAQMLRCBADWGQ-UHFFFAOYSA-N
XLogP4.25
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylimidazol-1-yl)methyl]-1-propylbenzimidazol-5-yl]benzamide?
The IUPAC name of N-[2-[(2-methylimidazol-1-yl)methyl]-1-propylbenzimidazol-5-yl]benzamide (CID 46263421) is N-[2-[(2-methylimidazol-1-yl)methyl]-1-propylbenzimidazol-5-yl]benzamide.
What is the SMILES notation for N-[2-[(2-methylimidazol-1-yl)methyl]-1-propylbenzimidazol-5-yl]benzamide?
The canonical SMILES for N-[2-[(2-methylimidazol-1-yl)methyl]-1-propylbenzimidazol-5-yl]benzamide is CCCn1c(Cn2ccnc2C)nc2cc(NC(=O)c3ccccc3)ccc21.
What is the InChIKey of N-[2-[(2-methylimidazol-1-yl)methyl]-1-propylbenzimidazol-5-yl]benzamide?
The InChIKey is PGAQMLRCBADWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-3-12-27-20-10-9-18(24-22(28)17-7-5-4-6-8-17)14-19(20)25-21(27)15-26-13-11-23-16(26)2/h4-11,13-14H,3,12,15H2,1-2H3,(H,24,28).
What are the key properties of N-[2-[(2-methylimidazol-1-yl)methyl]-1-propylbenzimidazol-5-yl]benzamide?
N-[2-[(2-methylimidazol-1-yl)methyl]-1-propylbenzimidazol-5-yl]benzamide has a molecular weight of 373.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylimidazol-1-yl)methyl]-1-propylbenzimidazol-5-yl]benzamide is sourced from PubChem (CID 46263421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).