2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide

C20H30N4O — CID 53207528

IUPAC2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide
SMILESCCCn1c(CN2CCCCC2)nc2cc(NC(=O)C(C)C)ccc21
InChIInChI=1S/C20H30N4O/c1-4-10-24-18-9-8-16(21-20(25)15(2)3)13-17(18)22-19(24)14-23-11-6-5-7-12-23/h8-9,13,15H,4-7,10-12,14H2,1-3H3,(H,21,25)
InChIKeyCXEJGFHWFQFLNO-UHFFFAOYSA-N
MW342.49 g/mol
LogP4.03
Rot. Bonds6

About 2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide

2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide (PubChem CID 53207528) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide
PubChem CID53207528
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide
SMILESCCCn1c(CN2CCCCC2)nc2cc(NC(=O)C(C)C)ccc21
InChIInChI=1S/C20H30N4O/c1-4-10-24-18-9-8-16(21-20(25)15(2)3)13-17(18)22-19(24)14-23-11-6-5-7-12-23/h8-9,13,15H,4-7,10-12,14H2,1-3H3,(H,21,25)
InChIKeyCXEJGFHWFQFLNO-UHFFFAOYSA-N
XLogP4.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-butyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]propanamide
CID 53207694
N-[2-(azepan-1-ylmethyl)-1-propylbenzimidazol-5-yl]-3,4,5-trimethoxybenzamide
CID 46263978
2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 23611152
2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]acetamide
CID 53207549
N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]pentanamide
CID 23612860
2-methyl-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 17236024
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]propanamide
CID 23611201
N-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide
CID 23612883
2-methyl-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 23611212
N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide
CID 53207693
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]acetamide
CID 17235989
N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(2-chlorophenoxy)acetamide
CID 50745132

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide?
The IUPAC name of 2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide (CID 53207528) is 2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide is CCCn1c(CN2CCCCC2)nc2cc(NC(=O)C(C)C)ccc21.
What is the InChIKey of 2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide?
The InChIKey is CXEJGFHWFQFLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-4-10-24-18-9-8-16(21-20(25)15(2)3)13-17(18)22-19(24)14-23-11-6-5-7-12-23/h8-9,13,15H,4-7,10-12,14H2,1-3H3,(H,21,25).
What are the key properties of 2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide?
2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide has a molecular weight of 342.49 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide is sourced from PubChem (CID 53207528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).