N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-(1H-indol-3-yl)acetamide

C17H20N6O — CID 42626109

IUPACN-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-(1H-indol-3-yl)acetamide
SMILESN/C(=N\CCCc1cnc[nH]1)NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H20N6O/c18-17(20-7-3-4-13-10-19-11-22-13)23-16(24)8-12-9-21-15-6-2-1-5-14(12)15/h1-2,5-6,9-11,21H,3-4,7-8H2,(H,19,22)(H3,18,20,23,24)
InChIKeyIACQTGSSMZJQPH-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.50
Rot. Bonds6

About N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-(1H-indol-3-yl)acetamide

N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 42626109) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-(1H-indol-3-yl)acetamide
PubChem CID42626109
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC NameN-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-(1H-indol-3-yl)acetamide
SMILESN/C(=N\CCCc1cnc[nH]1)NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H20N6O/c18-17(20-7-3-4-13-10-19-11-22-13)23-16(24)8-12-9-21-15-6-2-1-5-14(12)15/h1-2,5-6,9-11,21H,3-4,7-8H2,(H,19,22)(H3,18,20,23,24)
InChIKeyIACQTGSSMZJQPH-UHFFFAOYSA-N
XLogP1.50
TPSA111.95 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-(1H-indol-3-yl)acetamide 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-[2-[[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 42625306
(3S)-3-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]butanamide
CID 46887043
2-[[2-[[2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 18487923
1-butyl-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806494
4-chloro-N-[N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide
CID 2950550
(2S)-2-amino-N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 73350656
2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 18493377
2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine
CID 111806458
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 18495766
2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 18261431
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633

Frequently Asked Questions

What is the IUPAC name of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-(1H-indol-3-yl)acetamide (CID 42626109) is N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-(1H-indol-3-yl)acetamide is N/C(=N\CCCc1cnc[nH]1)NC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is IACQTGSSMZJQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c18-17(20-7-3-4-13-10-19-11-22-13)23-16(24)8-12-9-21-15-6-2-1-5-14(12)15/h1-2,5-6,9-11,21H,3-4,7-8H2,(H,19,22)(H3,18,20,23,24).
What are the key properties of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-(1H-indol-3-yl)acetamide?
N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 324.39 g/mol, XLogP of 1.50, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 42626109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).