2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-(cyclopropylmethyl)acetamide

C23H26N6O2 — CID 155511419

IUPAC2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-(cyclopropylmethyl)acetamide
SMILES[H]/N=C(\N)c1ccc(NCc2ncc(-c3ccccc3)[nH]2)cc1OCC(=O)NCC1CC1
InChIInChI=1S/C23H26N6O2/c24-23(25)18-9-8-17(10-20(18)31-14-22(30)28-11-15-6-7-15)26-13-21-27-12-19(29-21)16-4-2-1-3-5-16/h1-5,8-10,12,15,26H,6-7,11,13-14H2,(H3,24,25)(H,27,29)(H,28,30)
InChIKeyRZQUERSYMCZRME-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.88
Rot. Bonds10

About 2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-(cyclopropylmethyl)acetamide

2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-(cyclopropylmethyl)acetamide (PubChem CID 155511419) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-(cyclopropylmethyl)acetamide
PubChem CID155511419
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-(cyclopropylmethyl)acetamide
SMILES[H]/N=C(\N)c1ccc(NCc2ncc(-c3ccccc3)[nH]2)cc1OCC(=O)NCC1CC1
InChIInChI=1S/C23H26N6O2/c24-23(25)18-9-8-17(10-20(18)31-14-22(30)28-11-15-6-7-15)26-13-21-27-12-19(29-21)16-4-2-1-3-5-16/h1-5,8-10,12,15,26H,6-7,11,13-14H2,(H3,24,25)(H,27,29)(H,28,30)
InChIKeyRZQUERSYMCZRME-UHFFFAOYSA-N
XLogP2.88
TPSA128.91 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-(cyclopropylmethyl)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-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 724128
2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl ~{N}-[[3-(1~{H}-imidazol-5-yl)phenyl]methyl]carbamate
CID 155908682
Kallikrein 5-IN-2
CID 138115400
N-[2-({2-Hydroxy-3-[4-(1H-imidazol-2-yl)phenoxy]propyl}amino)ethyl]-N'-phenylurea
CID 13621723
1-[4-(1H-Imidazol-4-ylmethyl)-benzyl]-3-(3-methoxy-phenyl)-urea
CID 9819139
1-{2-Dimethylamino-6-[3-(4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-3-pentyl-urea
CID 9824974
1-tert-Butyl-3-{2-dimethylamino-6-[3-(4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-urea
CID 10003115
1-{2-Dimethylamino-6-[3-(4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-3-propyl-urea
CID 10025201
1-Cyclohexyl-3-{2-dimethylamino-6-[3-(4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-urea
CID 10027328
1-{2-Dimethylamino-6-[3-(5-methyl-4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-3-pentyl-urea
CID 10027414
1-{2-Dimethylamino-6-[3-(4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-3-ethyl-urea
CID 10069976
1-{2-Dimethylamino-6-[3-(2-phenyl-imidazol-1-yl)-propoxy]-phenyl}-3-pentyl-urea
CID 10095254

Frequently Asked Questions

What is the IUPAC name of 2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-(cyclopropylmethyl)acetamide (CID 155511419) is 2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-(cyclopropylmethyl)acetamide is [H]/N=C(\N)c1ccc(NCc2ncc(-c3ccccc3)[nH]2)cc1OCC(=O)NCC1CC1.
What is the InChIKey of 2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-(cyclopropylmethyl)acetamide?
The InChIKey is RZQUERSYMCZRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c24-23(25)18-9-8-17(10-20(18)31-14-22(30)28-11-15-6-7-15)26-13-21-27-12-19(29-21)16-4-2-1-3-5-16/h1-5,8-10,12,15,26H,6-7,11,13-14H2,(H3,24,25)(H,27,29)(H,28,30).
What are the key properties of 2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-(cyclopropylmethyl)acetamide?
2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-(cyclopropylmethyl)acetamide has a molecular weight of 418.50 g/mol, XLogP of 2.88, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 155511419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).