N,N-dimethyl-1-[[2-(methylaminomethyl)-1H-benzimidazol-4-yl]methyl]pyrrolidine-2-carboxamide

C17H25N5O — CID 142232803

IUPACN,N-dimethyl-1-[[2-(methylaminomethyl)-1H-benzimidazol-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESCNCc1nc2c(CN3CCCC3C(=O)N(C)C)cccc2[nH]1
InChIInChI=1S/C17H25N5O/c1-18-10-15-19-13-7-4-6-12(16(13)20-15)11-22-9-5-8-14(22)17(23)21(2)3/h4,6-7,14,18H,5,8-11H2,1-3H3,(H,19,20)
InChIKeyKTLBGCANKILZDV-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.33
Rot. Bonds5

About N,N-dimethyl-1-[[2-(methylaminomethyl)-1H-benzimidazol-4-yl]methyl]pyrrolidine-2-carboxamide

N,N-dimethyl-1-[[2-(methylaminomethyl)-1H-benzimidazol-4-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 142232803) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N,N-dimethyl-1-[[2-(methylaminomethyl)-1H-benzimidazol-4-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[[2-(methylaminomethyl)-1H-benzimidazol-4-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID142232803
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN,N-dimethyl-1-[[2-(methylaminomethyl)-1H-benzimidazol-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESCNCc1nc2c(CN3CCCC3C(=O)N(C)C)cccc2[nH]1
InChIInChI=1S/C17H25N5O/c1-18-10-15-19-13-7-4-6-12(16(13)20-15)11-22-9-5-8-14(22)17(23)21(2)3/h4,6-7,14,18H,5,8-11H2,1-3H3,(H,19,20)
InChIKeyKTLBGCANKILZDV-UHFFFAOYSA-N
XLogP1.33
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(aminomethyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 43576049
1-[(2-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 75833581
(2S)-N,N-dimethyl-1-[2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetyl]pyrrolidine-2-carboxamide
CID 95199283
(2R)-N,N-dimethyl-1-[2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetyl]pyrrolidine-2-carboxamide
CID 95199282
1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119908923
1-(2-ethyl-1H-benzimidazol-4-yl)-N-methylmethanamine
CID 83877191
1-[(2-amino-5-fluorophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575443
1-[(3-aminophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575439
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 60501362
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 134031664
(2R)-1-[[4-(2-cyanophenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 25479714
N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 134031662

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[2-(methylaminomethyl)-1H-benzimidazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-[[2-(methylaminomethyl)-1H-benzimidazol-4-yl]methyl]pyrrolidine-2-carboxamide (CID 142232803) is N,N-dimethyl-1-[[2-(methylaminomethyl)-1H-benzimidazol-4-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[[2-(methylaminomethyl)-1H-benzimidazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[[2-(methylaminomethyl)-1H-benzimidazol-4-yl]methyl]pyrrolidine-2-carboxamide is CNCc1nc2c(CN3CCCC3C(=O)N(C)C)cccc2[nH]1.
What is the InChIKey of N,N-dimethyl-1-[[2-(methylaminomethyl)-1H-benzimidazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is KTLBGCANKILZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-18-10-15-19-13-7-4-6-12(16(13)20-15)11-22-9-5-8-14(22)17(23)21(2)3/h4,6-7,14,18H,5,8-11H2,1-3H3,(H,19,20).
What are the key properties of N,N-dimethyl-1-[[2-(methylaminomethyl)-1H-benzimidazol-4-yl]methyl]pyrrolidine-2-carboxamide?
N,N-dimethyl-1-[[2-(methylaminomethyl)-1H-benzimidazol-4-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[2-(methylaminomethyl)-1H-benzimidazol-4-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 142232803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).