1H-benzimidazole;tert-butyl N-(3-hydroxycyclobutyl)carbamate;3-[5-chloro-4-(2-methylbenzimidazol-1-yl)pyrimidin-2-yl]oxy-N,N-dimethylcyclobutan-1-amine;1-(2,5-dichloropyrimidin-4-yl)benzimidazole;2,4,5-trichloropyrimidine

C49H50Cl6N14O4 — CID 157433831

About 1H-benzimidazole;tert-butyl N-(3-hydroxycyclobutyl)carbamate;3-[5-chloro-4-(2-methylbenzimidazol-1-yl)pyrimidin-2-yl]oxy-N,N-dimethylcyclobutan-1-amine;1-(2,5-dichloropyrimidin-4-yl)benzimidazole;2,4,5-trichloropyrimidine

1H-benzimidazole;tert-butyl N-(3-hydroxycyclobutyl)carbamate;3-[5-chloro-4-(2-methylbenzimidazol-1-yl)pyrimidin-2-yl]oxy-N,N-dimethylcyclobutan-1-amine;1-(2,5-dichloropyrimidin-4-yl)benzimidazole;2,4,5-trichloropyrimidine (PubChem CID 157433831) has the molecular formula C49H50Cl6N14O4 and a molecular weight of 1111.75 g/mol. Its IUPAC name is 1H-benzimidazole;tert-butyl N-(3-hydroxycyclobutyl)carbamate;3-[5-chloro-4-(2-methylbenzimidazol-1-yl)pyrimidin-2-yl]oxy-N,N-dimethylcyclobutan-1-amine;1-(2,5-dichloropyrimidin-4-yl)benzimidazole;2,4,5-trichloropyrimidine.

Molecular Properties

• Compound Name: 1H-benzimidazole;tert-butyl N-(3-hydroxycyclobutyl)carbamate;3-[5-chloro-4-(2-methylbenzimidazol-1-yl)pyrimidin-2-yl]oxy-N,N-dimethylcyclobutan-1-amine;1-(2,5-dichloropyrimidin-4-yl)benzimidazole;2,4,5-trichloropyrimidine
• PubChem CID: 157433831
• Molecular Formula: C49H50Cl6N14O4
• Molecular Weight: 1111.75 g/mol
• Exact Mass: 1108.23
• IUPAC Name: 1H-benzimidazole;tert-butyl N-(3-hydroxycyclobutyl)carbamate;3-[5-chloro-4-(2-methylbenzimidazol-1-yl)pyrimidin-2-yl]oxy-N,N-dimethylcyclobutan-1-amine;1-(2,5-dichloropyrimidin-4-yl)benzimidazole;2,4,5-trichloropyrimidine
• SMILES: CC(C)(C)OC(=O)NC1CC(O)C1.Cc1nc2ccccc2n1-c1nc(OC2CC(N(C)C)C2)ncc1Cl.Clc1ncc(Cl)c(-n2cnc3ccccc32)n1.Clc1ncc(Cl)c(Cl)n1.c1ccc2[nH]cnc2c1
• InChI: InChI=1S/C18H20ClN5O.C11H6Cl2N4.C9H17NO3.C7H6N2.C4HCl3N2/c1-11-21-15-6-4-5-7-16(15)24(11)17-14(19)10-20-18(22-17)25-13-8-12(9-13)23(2)3;12-7-5-14-11(13)16-10(7)17-6-15-8-3-1-2-4-9(8)17;1-9(2,3)13-8(12)10-6-4-7(11)5-6;1-2-4-7-6(3-1)8-5-9-7;5-2-1-8-4(7)9-3(2)6/h4-7,10,12-13H,8-9H2,1-3H3;1-6H;6-7,11H,4-5H2,1-3H3,(H,10,12);1-5H,(H,8,9);1H
• InChIKey: BQVYWKSBCBUILF-UHFFFAOYSA-N
• XLogP: 11.41
• TPSA: 212.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1111.75
LogP ≤ 5	11.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;tert-butyl N-(3-hydroxycyclobutyl)carbamate;3-[5-chloro-4-(2-methylbenzimidazol-1-yl)pyrimidin-2-yl]oxy-N,N-dimethylcyclobutan-1-amine;1-(2,5-dichloropyrimidin-4-yl)benzimidazole;2,4,5-trichloropyrimidine?

The IUPAC name of 1H-benzimidazole;tert-butyl N-(3-hydroxycyclobutyl)carbamate;3-[5-chloro-4-(2-methylbenzimidazol-1-yl)pyrimidin-2-yl]oxy-N,N-dimethylcyclobutan-1-amine;1-(2,5-dichloropyrimidin-4-yl)benzimidazole;2,4,5-trichloropyrimidine (CID 157433831) is 1H-benzimidazole;tert-butyl N-(3-hydroxycyclobutyl)carbamate;3-[5-chloro-4-(2-methylbenzimidazol-1-yl)pyrimidin-2-yl]oxy-N,N-dimethylcyclobutan-1-amine;1-(2,5-dichloropyrimidin-4-yl)benzimidazole;2,4,5-trichloropyrimidine.

What is the SMILES notation for 1H-benzimidazole;tert-butyl N-(3-hydroxycyclobutyl)carbamate;3-[5-chloro-4-(2-methylbenzimidazol-1-yl)pyrimidin-2-yl]oxy-N,N-dimethylcyclobutan-1-amine;1-(2,5-dichloropyrimidin-4-yl)benzimidazole;2,4,5-trichloropyrimidine?

The canonical SMILES for 1H-benzimidazole;tert-butyl N-(3-hydroxycyclobutyl)carbamate;3-[5-chloro-4-(2-methylbenzimidazol-1-yl)pyrimidin-2-yl]oxy-N,N-dimethylcyclobutan-1-amine;1-(2,5-dichloropyrimidin-4-yl)benzimidazole;2,4,5-trichloropyrimidine is CC(C)(C)OC(=O)NC1CC(O)C1.Cc1nc2ccccc2n1-c1nc(OC2CC(N(C)C)C2)ncc1Cl.Clc1ncc(Cl)c(-n2cnc3ccccc32)n1.Clc1ncc(Cl)c(Cl)n1.c1ccc2[nH]cnc2c1.

What is the InChIKey of 1H-benzimidazole;tert-butyl N-(3-hydroxycyclobutyl)carbamate;3-[5-chloro-4-(2-methylbenzimidazol-1-yl)pyrimidin-2-yl]oxy-N,N-dimethylcyclobutan-1-amine;1-(2,5-dichloropyrimidin-4-yl)benzimidazole;2,4,5-trichloropyrimidine?

The InChIKey is BQVYWKSBCBUILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O.C11H6Cl2N4.C9H17NO3.C7H6N2.C4HCl3N2/c1-11-21-15-6-4-5-7-16(15)24(11)17-14(19)10-20-18(22-17)25-13-8-12(9-13)23(2)3;12-7-5-14-11(13)16-10(7)17-6-15-8-3-1-2-4-9(8)17;1-9(2,3)13-8(12)10-6-4-7(11)5-6;1-2-4-7-6(3-1)8-5-9-7;5-2-1-8-4(7)9-3(2)6/h4-7,10,12-13H,8-9H2,1-3H3;1-6H;6-7,11H,4-5H2,1-3H3,(H,10,12);1-5H,(H,8,9);1H.

What are the key properties of 1H-benzimidazole;tert-butyl N-(3-hydroxycyclobutyl)carbamate;3-[5-chloro-4-(2-methylbenzimidazol-1-yl)pyrimidin-2-yl]oxy-N,N-dimethylcyclobutan-1-amine;1-(2,5-dichloropyrimidin-4-yl)benzimidazole;2,4,5-trichloropyrimidine?

1H-benzimidazole;tert-butyl N-(3-hydroxycyclobutyl)carbamate;3-[5-chloro-4-(2-methylbenzimidazol-1-yl)pyrimidin-2-yl]oxy-N,N-dimethylcyclobutan-1-amine;1-(2,5-dichloropyrimidin-4-yl)benzimidazole;2,4,5-trichloropyrimidine has a molecular weight of 1111.75 g/mol, XLogP of 11.41, 6 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazole;tert-butyl N-(3-hydroxycyclobutyl)carbamate;3-[5-chloro-4-(2-methylbenzimidazol-1-yl)pyrimidin-2-yl]oxy-N,N-dimethylcyclobutan-1-amine;1-(2,5-dichloropyrimidin-4-yl)benzimidazole;2,4,5-trichloropyrimidine is sourced from PubChem (CID 157433831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).