N-[2-cyclopropyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]-4-methylpiperazine-1-carboxamide

C25H28N8O — CID 56961810

IUPACN-[2-cyclopropyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]-4-methylpiperazine-1-carboxamide
SMILESCc1cccc2cnc(Nc3cc(NC(=O)N4CCN(C)CC4)c4nc(C5CC5)[nH]c4c3)nc12
InChIInChI=1S/C25H28N8O/c1-15-4-3-5-17-14-26-24(31-21(15)17)27-18-12-19-22(30-23(28-19)16-6-7-16)20(13-18)29-25(34)33-10-8-32(2)9-11-33/h3-5,12-14,16H,6-11H2,1-2H3,(H,28,30)(H,29,34)(H,26,27,31)
InChIKeyHPRVTJXPMWXDDL-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.21
Rot. Bonds4

About N-[2-cyclopropyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]-4-methylpiperazine-1-carboxamide

N-[2-cyclopropyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]-4-methylpiperazine-1-carboxamide (PubChem CID 56961810) has the molecular formula C25H28N8O and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[2-cyclopropyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]-4-methylpiperazine-1-carboxamide
PubChem CID56961810
Molecular FormulaC25H28N8O
Molecular Weight456.55 g/mol
Exact Mass456.24
IUPAC NameN-[2-cyclopropyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]-4-methylpiperazine-1-carboxamide
SMILESCc1cccc2cnc(Nc3cc(NC(=O)N4CCN(C)CC4)c4nc(C5CC5)[nH]c4c3)nc12
InChIInChI=1S/C25H28N8O/c1-15-4-3-5-17-14-26-24(31-21(15)17)27-18-12-19-22(30-23(28-19)16-6-7-16)20(13-18)29-25(34)33-10-8-32(2)9-11-33/h3-5,12-14,16H,6-11H2,1-2H3,(H,28,30)(H,29,34)(H,26,27,31)
InChIKeyHPRVTJXPMWXDDL-UHFFFAOYSA-N
XLogP4.21
TPSA102.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-cyclopropyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]-4-methylpiperazine-1-carboxamide with MolForge

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Related Compounds

[2-cyclopropyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 142717116
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
1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]urea
CID 56961746
ethyl N-[6-[(8-methylquinazolin-2-yl)amino]-1H-indol-4-yl]carbamate
CID 59615247
N-[4-[(8-methylquinazolin-2-yl)amino]phenyl]acetamide
CID 59615252
4-[(8-methylquinazolin-2-yl)amino]benzoic acid
CID 150737082
N-[5-[[8-[6-(difluoromethoxy)-3-pyridinyl]quinazolin-2-yl]amino]-2-methylphenyl]-1-methylpiperidine-4-carboxamide
CID 178178460
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 70730737
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70768059
N-(8-fluoroquinolin-3-yl)-4-methylpiperazine-1-carboxamide
CID 155961191
4-(cyclopentylamino)-N-(2,6-dimethylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 169088908

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[2-cyclopropyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]-4-methylpiperazine-1-carboxamide (CID 56961810) is N-[2-cyclopropyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-cyclopropyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-cyclopropyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]-4-methylpiperazine-1-carboxamide is Cc1cccc2cnc(Nc3cc(NC(=O)N4CCN(C)CC4)c4nc(C5CC5)[nH]c4c3)nc12.
What is the InChIKey of N-[2-cyclopropyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]-4-methylpiperazine-1-carboxamide?
The InChIKey is HPRVTJXPMWXDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O/c1-15-4-3-5-17-14-26-24(31-21(15)17)27-18-12-19-22(30-23(28-19)16-6-7-16)20(13-18)29-25(34)33-10-8-32(2)9-11-33/h3-5,12-14,16H,6-11H2,1-2H3,(H,28,30)(H,29,34)(H,26,27,31).
What are the key properties of N-[2-cyclopropyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]-4-methylpiperazine-1-carboxamide?
N-[2-cyclopropyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]-4-methylpiperazine-1-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 4.21, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 56961810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).