N-[[1-[(2S)-2-aminopropyl]triazol-4-yl]methyl]-2-methyl-3H-benzimidazole-5-carboxamide

C15H19N7O — CID 166361854

IUPACN-[[1-[(2S)-2-aminopropyl]triazol-4-yl]methyl]-2-methyl-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)NCc3cn(C[C@H](C)N)nn3)cc2[nH]1
InChIInChI=1S/C15H19N7O/c1-9(16)7-22-8-12(20-21-22)6-17-15(23)11-3-4-13-14(5-11)19-10(2)18-13/h3-5,8-9H,6-7,16H2,1-2H3,(H,17,23)(H,18,19)/t9-/m0/s1
InChIKeyQDSGOTSQEPGSTO-VIFPVBQESA-N
MW313.37 g/mol
LogP0.74
Rot. Bonds5

About N-[[1-[(2S)-2-aminopropyl]triazol-4-yl]methyl]-2-methyl-3H-benzimidazole-5-carboxamide

N-[[1-[(2S)-2-aminopropyl]triazol-4-yl]methyl]-2-methyl-3H-benzimidazole-5-carboxamide (PubChem CID 166361854) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is N-[[1-[(2S)-2-aminopropyl]triazol-4-yl]methyl]-2-methyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2S)-2-aminopropyl]triazol-4-yl]methyl]-2-methyl-3H-benzimidazole-5-carboxamide
PubChem CID166361854
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC NameN-[[1-[(2S)-2-aminopropyl]triazol-4-yl]methyl]-2-methyl-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)NCc3cn(C[C@H](C)N)nn3)cc2[nH]1
InChIInChI=1S/C15H19N7O/c1-9(16)7-22-8-12(20-21-22)6-17-15(23)11-3-4-13-14(5-11)19-10(2)18-13/h3-5,8-9H,6-7,16H2,1-2H3,(H,17,23)(H,18,19)/t9-/m0/s1
InChIKeyQDSGOTSQEPGSTO-VIFPVBQESA-N
XLogP0.74
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[1-[(2S)-2-aminopropyl]triazol-4-yl]methyl]-2-methyl-3H-benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[(2S)-2-aminopropyl]triazol-4-yl]methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 167964328
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110692469
2-methyl-N-propyl-3H-benzimidazole-5-carboxamide
CID 594617
N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 70877342
N-[[1-[(2S)-2-aminopropyl]triazol-4-yl]methyl]-4-[(1-methylpyrazol-3-yl)amino]benzamide
CID 166364656
N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]-3-methylbenzamide
CID 171651915
4-amino-1-(2-methyl-3H-benzimidazol-5-yl)pentan-1-one
CID 116916248
N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 110692472
2-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-3H-benzimidazole-5-carboxamide
CID 51495335
2-(methylamino)-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one
CID 82493358
N,2-dimethyl-3H-benzimidazole-5-carbohydrazide
CID 116845661
2-amino-2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one
CID 116915401

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2S)-2-aminopropyl]triazol-4-yl]methyl]-2-methyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[[1-[(2S)-2-aminopropyl]triazol-4-yl]methyl]-2-methyl-3H-benzimidazole-5-carboxamide (CID 166361854) is N-[[1-[(2S)-2-aminopropyl]triazol-4-yl]methyl]-2-methyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[[1-[(2S)-2-aminopropyl]triazol-4-yl]methyl]-2-methyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[[1-[(2S)-2-aminopropyl]triazol-4-yl]methyl]-2-methyl-3H-benzimidazole-5-carboxamide is Cc1nc2ccc(C(=O)NCc3cn(C[C@H](C)N)nn3)cc2[nH]1.
What is the InChIKey of N-[[1-[(2S)-2-aminopropyl]triazol-4-yl]methyl]-2-methyl-3H-benzimidazole-5-carboxamide?
The InChIKey is QDSGOTSQEPGSTO-VIFPVBQESA-N. The full InChI is InChI=1S/C15H19N7O/c1-9(16)7-22-8-12(20-21-22)6-17-15(23)11-3-4-13-14(5-11)19-10(2)18-13/h3-5,8-9H,6-7,16H2,1-2H3,(H,17,23)(H,18,19)/t9-/m0/s1.
What are the key properties of N-[[1-[(2S)-2-aminopropyl]triazol-4-yl]methyl]-2-methyl-3H-benzimidazole-5-carboxamide?
N-[[1-[(2S)-2-aminopropyl]triazol-4-yl]methyl]-2-methyl-3H-benzimidazole-5-carboxamide has a molecular weight of 313.37 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2S)-2-aminopropyl]triazol-4-yl]methyl]-2-methyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 166361854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).