N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]-3,3-diphenylpropanamide

C21H23N5O — CID 25150700

IUPACN-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]-3,3-diphenylpropanamide
SMILESN/C(=N\CCc1cnc[nH]1)NC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23N5O/c22-21(24-12-11-18-14-23-15-25-18)26-20(27)13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,14-15,19H,11-13H2,(H,23,25)(H3,22,24,26,27)
InChIKeyBCIVIRNJAROBHW-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.61
Rot. Bonds7

About N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]-3,3-diphenylpropanamide

N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]-3,3-diphenylpropanamide (PubChem CID 25150700) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]-3,3-diphenylpropanamide
PubChem CID25150700
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]-3,3-diphenylpropanamide
SMILESN/C(=N\CCc1cnc[nH]1)NC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23N5O/c22-21(24-12-11-18-14-23-15-25-18)26-20(27)13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,14-15,19H,11-13H2,(H,23,25)(H3,22,24,26,27)
InChIKeyBCIVIRNJAROBHW-UHFFFAOYSA-N
XLogP2.61
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]-3,3-diphenylpropanamide (CID 25150700) is N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]-3,3-diphenylpropanamide is N/C(=N\CCc1cnc[nH]1)NC(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]-3,3-diphenylpropanamide?
The InChIKey is BCIVIRNJAROBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c22-21(24-12-11-18-14-23-15-25-18)26-20(27)13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,14-15,19H,11-13H2,(H,23,25)(H3,22,24,26,27).
What are the key properties of N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]-3,3-diphenylpropanamide?
N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]-3,3-diphenylpropanamide has a molecular weight of 361.45 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 25150700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).