1,2,4,5,6-pentamethyl-7-propan-2-ylbenzimidazole

C15H22N2 — CID 161418398

IUPAC1,2,4,5,6-pentamethyl-7-propan-2-ylbenzimidazole
SMILESCc1c(C)c(C(C)C)c2c(nc(C)n2C)c1C
InChIInChI=1S/C15H22N2/c1-8(2)13-10(4)9(3)11(5)14-15(13)17(7)12(6)16-14/h8H,1-7H3
InChIKeyCAFRLRBHOIDVFQ-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.93
Rot. Bonds1

About 1,2,4,5,6-pentamethyl-7-propan-2-ylbenzimidazole

1,2,4,5,6-pentamethyl-7-propan-2-ylbenzimidazole (PubChem CID 161418398) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1,2,4,5,6-pentamethyl-7-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name1,2,4,5,6-pentamethyl-7-propan-2-ylbenzimidazole
PubChem CID161418398
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1,2,4,5,6-pentamethyl-7-propan-2-ylbenzimidazole
SMILESCc1c(C)c(C(C)C)c2c(nc(C)n2C)c1C
InChIInChI=1S/C15H22N2/c1-8(2)13-10(4)9(3)11(5)14-15(13)17(7)12(6)16-14/h8H,1-7H3
InChIKeyCAFRLRBHOIDVFQ-UHFFFAOYSA-N
XLogP3.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,5,6,7-pentamethyl-8-propan-2-ylquinoxaline
CID 157183608
1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene
CID 13359400
2,3,4,7-tetramethyl-N-(3,5,6-trimethylpyrazin-2-yl)imidazo[4,5-c]pyridin-6-amine
CID 59636474
2,3,4,5,6,7-hexamethyl-8-propan-2-ylquinoline
CID 157183613
3,4-dimethyl-2,5-bis(3,4,5-trimethylthiophen-2-yl)thiophene;2-[3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene;1,2,4,5,6,7-hexamethylbenzimidazole;1,3,4,5,6,7-hexamethyl-2-benzoselenophene;1,3,4,5,6,7-hexamethyl-2-benzothiophene;2,4,5,6,7-pentamethyl-1,3-benzothiazole;2,3,4-trimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene
CID 159870975
6-fluoro-1,2-dimethylthieno[2,3-d]imidazole
CID 164760725
2,5,6,7,8-pentamethyl-3-propan-2-ylquinazolin-4-one
CID 126586554
2,3,4,6-tetramethylimidazo[4,5-g]quinoxaline
CID 10036645
CID 20712639
CID 20712639
1,2,3,4,5,6,8,9,10-nonamethyl-7-propan-2-ylanthracene
CID 159127146
7,8-dimethylpurine-2,6-diamine
CID 122515075
1,2-dimethyl-5H-imidazo[4,5-c]quinolin-4-one
CID 10059064

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5,6-pentamethyl-7-propan-2-ylbenzimidazole?
The IUPAC name of 1,2,4,5,6-pentamethyl-7-propan-2-ylbenzimidazole (CID 161418398) is 1,2,4,5,6-pentamethyl-7-propan-2-ylbenzimidazole.
What is the SMILES notation for 1,2,4,5,6-pentamethyl-7-propan-2-ylbenzimidazole?
The canonical SMILES for 1,2,4,5,6-pentamethyl-7-propan-2-ylbenzimidazole is Cc1c(C)c(C(C)C)c2c(nc(C)n2C)c1C.
What is the InChIKey of 1,2,4,5,6-pentamethyl-7-propan-2-ylbenzimidazole?
The InChIKey is CAFRLRBHOIDVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-8(2)13-10(4)9(3)11(5)14-15(13)17(7)12(6)16-14/h8H,1-7H3.
What are the key properties of 1,2,4,5,6-pentamethyl-7-propan-2-ylbenzimidazole?
1,2,4,5,6-pentamethyl-7-propan-2-ylbenzimidazole has a molecular weight of 230.35 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5,6-pentamethyl-7-propan-2-ylbenzimidazole is sourced from PubChem (CID 161418398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).