1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]urea

C25H32N8O — CID 56961746

IUPAC1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]urea
SMILESCc1nc2c(NC(=O)NCC(C)(C)CN(C)C)cc(Nc3ncc4cccc(C)c4n3)cc2[nH]1
InChIInChI=1S/C25H32N8O/c1-15-8-7-9-17-12-26-23(32-21(15)17)30-18-10-19-22(29-16(2)28-19)20(11-18)31-24(34)27-13-25(3,4)14-33(5)6/h7-12H,13-14H2,1-6H3,(H,28,29)(H,26,30,32)(H2,27,31,34)
InChIKeyTXUFQXWKLYQPEP-UHFFFAOYSA-N
MW460.59 g/mol
LogP4.58
Rot. Bonds7

About 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]urea

1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]urea (PubChem CID 56961746) has the molecular formula C25H32N8O and a molecular weight of 460.59 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]urea.

Molecular Properties

Compound Name1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]urea
PubChem CID56961746
Molecular FormulaC25H32N8O
Molecular Weight460.59 g/mol
Exact Mass460.27
IUPAC Name1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]urea
SMILESCc1nc2c(NC(=O)NCC(C)(C)CN(C)C)cc(Nc3ncc4cccc(C)c4n3)cc2[nH]1
InChIInChI=1S/C25H32N8O/c1-15-8-7-9-17-12-26-23(32-21(15)17)30-18-10-19-22(29-16(2)28-19)20(11-18)31-24(34)27-13-25(3,4)14-33(5)6/h7-12H,13-14H2,1-6H3,(H,28,29)(H,26,30,32)(H2,27,31,34)
InChIKeyTXUFQXWKLYQPEP-UHFFFAOYSA-N
XLogP4.58
TPSA110.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.59
LogP ≤ 54.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-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

4-methyl-N-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]oxane-4-carboxamide
CID 142717111
N-cyclopropyl-2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazole-4-carboxamide
CID 56961741
ethyl N-[6-[(8-methylquinazolin-2-yl)amino]-1H-indol-4-yl]carbamate
CID 59615247
N-[2-cyclopropyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]-4-methylpiperazine-1-carboxamide
CID 56961810
N-[4-[(8-methylquinazolin-2-yl)amino]phenyl]acetamide
CID 59615252
4-[(8-methylquinazolin-2-yl)amino]benzoic acid
CID 150737082
6-[(8-chloroquinazolin-2-yl)amino]-N,2-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 56961527
2-cyclopropyl-6-N-(8-methylquinazolin-2-yl)-1H-benzimidazole-4,6-diamine
CID 56961805
N-methyl-4-[(8-methylquinazolin-2-yl)amino]-1H-pyrrole-2-carboxamide
CID 170037856
N-(3-isocyanophenyl)-8-methylquinazolin-2-amine
CID 59615256
[2-cyclopropyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 142717116
N',N'-dimethyl-N-[[6-[(8-methylquinazolin-2-yl)amino]-2H-indazol-3-yl]methyl]ethane-1,2-diamine
CID 59615302

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]urea?
The IUPAC name of 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]urea (CID 56961746) is 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]urea.
What is the SMILES notation for 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]urea?
The canonical SMILES for 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]urea is Cc1nc2c(NC(=O)NCC(C)(C)CN(C)C)cc(Nc3ncc4cccc(C)c4n3)cc2[nH]1.
What is the InChIKey of 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]urea?
The InChIKey is TXUFQXWKLYQPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8O/c1-15-8-7-9-17-12-26-23(32-21(15)17)30-18-10-19-22(29-16(2)28-19)20(11-18)31-24(34)27-13-25(3,4)14-33(5)6/h7-12H,13-14H2,1-6H3,(H,28,29)(H,26,30,32)(H2,27,31,34).
What are the key properties of 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]urea?
1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]urea has a molecular weight of 460.59 g/mol, XLogP of 4.58, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]urea is sourced from PubChem (CID 56961746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).