1-(2-methylpropyl)-3-[6-[[2-(2-methylpropylcarbamoylamino)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea

C24H30N8O3 — CID 142774089

IUPAC1-(2-methylpropyl)-3-[6-[[2-(2-methylpropylcarbamoylamino)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea
SMILESCC(C)CNC(=O)Nc1nc2ccc(Oc3ccc4nc(NC(=O)NCC(C)C)[nH]c4c3)cc2[nH]1
InChIInChI=1S/C24H30N8O3/c1-13(2)11-25-23(33)31-21-27-17-7-5-15(9-19(17)29-21)35-16-6-8-18-20(10-16)30-22(28-18)32-24(34)26-12-14(3)4/h5-10,13-14H,11-12H2,1-4H3,(H3,25,27,29,31,33)(H3,26,28,30,32,34)
InChIKeyBMLXNIABVQAEHN-UHFFFAOYSA-N
MW478.56 g/mol
LogP4.79
Rot. Bonds8

About 1-(2-methylpropyl)-3-[6-[[2-(2-methylpropylcarbamoylamino)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea

1-(2-methylpropyl)-3-[6-[[2-(2-methylpropylcarbamoylamino)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea (PubChem CID 142774089) has the molecular formula C24H30N8O3 and a molecular weight of 478.56 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[6-[[2-(2-methylpropylcarbamoylamino)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[6-[[2-(2-methylpropylcarbamoylamino)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea
PubChem CID142774089
Molecular FormulaC24H30N8O3
Molecular Weight478.56 g/mol
Exact Mass478.24
IUPAC Name1-(2-methylpropyl)-3-[6-[[2-(2-methylpropylcarbamoylamino)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea
SMILESCC(C)CNC(=O)Nc1nc2ccc(Oc3ccc4nc(NC(=O)NCC(C)C)[nH]c4c3)cc2[nH]1
InChIInChI=1S/C24H30N8O3/c1-13(2)11-25-23(33)31-21-27-17-7-5-15(9-19(17)29-21)35-16-6-8-18-20(10-16)30-22(28-18)32-24(34)26-12-14(3)4/h5-10,13-14H,11-12H2,1-4H3,(H3,25,27,29,31,33)(H3,26,28,30,32,34)
InChIKeyBMLXNIABVQAEHN-UHFFFAOYSA-N
XLogP4.79
TPSA148.85 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.56
LogP ≤ 54.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Analyze 1-(2-methylpropyl)-3-[6-[[2-(2-methylpropylcarbamoylamino)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea 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

1-[(2-methoxyphenyl)methyl]-3-[6-[[2-[(2-methoxyphenyl)methylcarbamoylamino]-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea
CID 142774094
1-[6-(3-ethylphenoxy)-1H-benzimidazol-2-yl]-3-methylurea
CID 118709938
1-(4-methoxyphenyl)-3-[5-[[2-[(4-methoxyphenyl)carbamoylamino]-1H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea
CID 142774083
N-[6-(2-methylpropylsulfamoyl)-1H-benzimidazol-2-yl]acetamide
CID 141078201
methyl N-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)carbamate
CID 169450802
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3H-benzimidazol-5-yl]oxy]phenyl]urea
CID 58905753
[2-(benzylcarbamoylamino)-3H-benzimidazol-5-yl] 2,6-dichlorobenzenesulfonate
CID 87123396
N-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyacetamide
CID 175272968
1-[6-(2,6-dimethoxyphenyl)-1H-benzimidazol-2-yl]-3-ethylurea
CID 71655403
methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetate
CID 82562607
2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid
CID 82562608
methyl N-[6-(4-methoxyphenyl)sulfanyl-1H-benzimidazol-2-yl]carbamate
CID 11221181

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[6-[[2-(2-methylpropylcarbamoylamino)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-(2-methylpropyl)-3-[6-[[2-(2-methylpropylcarbamoylamino)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea (CID 142774089) is 1-(2-methylpropyl)-3-[6-[[2-(2-methylpropylcarbamoylamino)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-(2-methylpropyl)-3-[6-[[2-(2-methylpropylcarbamoylamino)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-(2-methylpropyl)-3-[6-[[2-(2-methylpropylcarbamoylamino)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea is CC(C)CNC(=O)Nc1nc2ccc(Oc3ccc4nc(NC(=O)NCC(C)C)[nH]c4c3)cc2[nH]1.
What is the InChIKey of 1-(2-methylpropyl)-3-[6-[[2-(2-methylpropylcarbamoylamino)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea?
The InChIKey is BMLXNIABVQAEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O3/c1-13(2)11-25-23(33)31-21-27-17-7-5-15(9-19(17)29-21)35-16-6-8-18-20(10-16)30-22(28-18)32-24(34)26-12-14(3)4/h5-10,13-14H,11-12H2,1-4H3,(H3,25,27,29,31,33)(H3,26,28,30,32,34).
What are the key properties of 1-(2-methylpropyl)-3-[6-[[2-(2-methylpropylcarbamoylamino)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea?
1-(2-methylpropyl)-3-[6-[[2-(2-methylpropylcarbamoylamino)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea has a molecular weight of 478.56 g/mol, XLogP of 4.79, 8 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[6-[[2-(2-methylpropylcarbamoylamino)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 142774089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).