3-amino-N-[[5-chloro-1-(3-cyanopropyl)benzimidazol-2-yl]methyl]-N-phenylcyclobutane-1-carboxamide

C23H24ClN5O — CID 129225247

IUPAC3-amino-N-[[5-chloro-1-(3-cyanopropyl)benzimidazol-2-yl]methyl]-N-phenylcyclobutane-1-carboxamide
SMILESN#CCCCn1c(CN(C(=O)C2CC(N)C2)c2ccccc2)nc2cc(Cl)ccc21
InChIInChI=1S/C23H24ClN5O/c24-17-8-9-21-20(14-17)27-22(28(21)11-5-4-10-25)15-29(19-6-2-1-3-7-19)23(30)16-12-18(26)13-16/h1-3,6-9,14,16,18H,4-5,11-13,15,26H2
InChIKeyDLWGUCABPWDCDN-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.26
Rot. Bonds7

About 3-amino-N-[[5-chloro-1-(3-cyanopropyl)benzimidazol-2-yl]methyl]-N-phenylcyclobutane-1-carboxamide

3-amino-N-[[5-chloro-1-(3-cyanopropyl)benzimidazol-2-yl]methyl]-N-phenylcyclobutane-1-carboxamide (PubChem CID 129225247) has the molecular formula C23H24ClN5O and a molecular weight of 421.93 g/mol. Its IUPAC name is 3-amino-N-[[5-chloro-1-(3-cyanopropyl)benzimidazol-2-yl]methyl]-N-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[5-chloro-1-(3-cyanopropyl)benzimidazol-2-yl]methyl]-N-phenylcyclobutane-1-carboxamide
PubChem CID129225247
Molecular FormulaC23H24ClN5O
Molecular Weight421.93 g/mol
Exact Mass421.17
IUPAC Name3-amino-N-[[5-chloro-1-(3-cyanopropyl)benzimidazol-2-yl]methyl]-N-phenylcyclobutane-1-carboxamide
SMILESN#CCCCn1c(CN(C(=O)C2CC(N)C2)c2ccccc2)nc2cc(Cl)ccc21
InChIInChI=1S/C23H24ClN5O/c24-17-8-9-21-20(14-17)27-22(28(21)11-5-4-10-25)15-29(19-6-2-1-3-7-19)23(30)16-12-18(26)13-16/h1-3,6-9,14,16,18H,4-5,11-13,15,26H2
InChIKeyDLWGUCABPWDCDN-UHFFFAOYSA-N
XLogP4.26
TPSA87.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-N-[[5-chloro-1-(3-cyanopropyl)benzimidazol-2-yl]methyl]-N-phenylcyclobutane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[5-chloro-1-(3-cyanopropyl)benzimidazol-2-yl]methyl]-N-phenylcyclobutane-1-carboxamide?
The IUPAC name of 3-amino-N-[[5-chloro-1-(3-cyanopropyl)benzimidazol-2-yl]methyl]-N-phenylcyclobutane-1-carboxamide (CID 129225247) is 3-amino-N-[[5-chloro-1-(3-cyanopropyl)benzimidazol-2-yl]methyl]-N-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[[5-chloro-1-(3-cyanopropyl)benzimidazol-2-yl]methyl]-N-phenylcyclobutane-1-carboxamide?
The canonical SMILES for 3-amino-N-[[5-chloro-1-(3-cyanopropyl)benzimidazol-2-yl]methyl]-N-phenylcyclobutane-1-carboxamide is N#CCCCn1c(CN(C(=O)C2CC(N)C2)c2ccccc2)nc2cc(Cl)ccc21.
What is the InChIKey of 3-amino-N-[[5-chloro-1-(3-cyanopropyl)benzimidazol-2-yl]methyl]-N-phenylcyclobutane-1-carboxamide?
The InChIKey is DLWGUCABPWDCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O/c24-17-8-9-21-20(14-17)27-22(28(21)11-5-4-10-25)15-29(19-6-2-1-3-7-19)23(30)16-12-18(26)13-16/h1-3,6-9,14,16,18H,4-5,11-13,15,26H2.
What are the key properties of 3-amino-N-[[5-chloro-1-(3-cyanopropyl)benzimidazol-2-yl]methyl]-N-phenylcyclobutane-1-carboxamide?
3-amino-N-[[5-chloro-1-(3-cyanopropyl)benzimidazol-2-yl]methyl]-N-phenylcyclobutane-1-carboxamide has a molecular weight of 421.93 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[5-chloro-1-(3-cyanopropyl)benzimidazol-2-yl]methyl]-N-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 129225247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).