3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide

C23H26N4O2 — CID 59655268

IUPAC3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide
SMILESCc1ccc2nc(C(C)NC(=O)c3ccc(C(=O)N4CCCC4)c(C)c3)[nH]c2c1
InChIInChI=1S/C23H26N4O2/c1-14-6-9-19-20(12-14)26-21(25-19)16(3)24-22(28)17-7-8-18(15(2)13-17)23(29)27-10-4-5-11-27/h6-9,12-13,16H,4-5,10-11H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyAPQYKZLFOUZRCN-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.91
Rot. Bonds4

About 3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide

3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide (PubChem CID 59655268) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide.

Molecular Properties

Compound Name3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide
PubChem CID59655268
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide
SMILESCc1ccc2nc(C(C)NC(=O)c3ccc(C(=O)N4CCCC4)c(C)c3)[nH]c2c1
InChIInChI=1S/C23H26N4O2/c1-14-6-9-19-20(12-14)26-21(25-19)16(3)24-22(28)17-7-8-18(15(2)13-17)23(29)27-10-4-5-11-27/h6-9,12-13,16H,4-5,10-11H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyAPQYKZLFOUZRCN-UHFFFAOYSA-N
XLogP3.91
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(6-cyano-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 10250462
3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)-4-oxo-4-pyrrolidin-1-ylbutyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 59655114
N-[1-(6-chloro-1H-benzimidazol-2-yl)-2-piperidin-1-ylethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 59655172
(4S)-4-(6-chloro-1H-benzimidazol-2-yl)-4-[[3-methyl-4-(pyrrolidine-1-carbonyl)benzoyl]amino]butanoic acid
CID 59737124
N-[2-acetamido-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 59655272
N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(fluoromethoxy)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 69312655
N-[2-benzamido-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 59655325
N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(methanesulfonamido)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 59655177
2-[(2R)-2-(6-chloro-1H-benzimidazol-2-yl)-2-[[3-methyl-4-(pyrrolidine-1-carbonyl)benzoyl]amino]ethoxy]acetic acid
CID 59655106
N-[4-acetamido-1-(6-chloro-1H-benzimidazol-2-yl)butyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 67551547
tert-butyl N-[2-(6-chloro-1H-benzimidazol-2-yl)-2-[[3-methyl-4-(pyrrolidine-1-carbonyl)benzoyl]amino]ethyl]carbamate
CID 69311188
N-[(1S)-5-acetamido-1-(6-chloro-1H-benzimidazol-2-yl)pentyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 59737140

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide?
The IUPAC name of 3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide (CID 59655268) is 3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide.
What is the SMILES notation for 3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide?
The canonical SMILES for 3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide is Cc1ccc2nc(C(C)NC(=O)c3ccc(C(=O)N4CCCC4)c(C)c3)[nH]c2c1.
What is the InChIKey of 3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide?
The InChIKey is APQYKZLFOUZRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-14-6-9-19-20(12-14)26-21(25-19)16(3)24-22(28)17-7-8-18(15(2)13-17)23(29)27-10-4-5-11-27/h6-9,12-13,16H,4-5,10-11H2,1-3H3,(H,24,28)(H,25,26).
What are the key properties of 3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide?
3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide has a molecular weight of 390.49 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide is sourced from PubChem (CID 59655268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).