1-[1-(dimethylamino)-4-methylpentan-2-yl]-7-methylbenzimidazol-2-amine

C16H26N4 — CID 115552380

IUPAC1-[1-(dimethylamino)-4-methylpentan-2-yl]-7-methylbenzimidazol-2-amine
SMILESCc1cccc2nc(N)n(C(CC(C)C)CN(C)C)c12
InChIInChI=1S/C16H26N4/c1-11(2)9-13(10-19(4)5)20-15-12(3)7-6-8-14(15)18-16(20)17/h6-8,11,13H,9-10H2,1-5H3,(H2,17,18)
InChIKeyQGSBFNUAPPWXPE-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.08
Rot. Bonds5

About 1-[1-(dimethylamino)-4-methylpentan-2-yl]-7-methylbenzimidazol-2-amine

1-[1-(dimethylamino)-4-methylpentan-2-yl]-7-methylbenzimidazol-2-amine (PubChem CID 115552380) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-4-methylpentan-2-yl]-7-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-[1-(dimethylamino)-4-methylpentan-2-yl]-7-methylbenzimidazol-2-amine
PubChem CID115552380
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-[1-(dimethylamino)-4-methylpentan-2-yl]-7-methylbenzimidazol-2-amine
SMILESCc1cccc2nc(N)n(C(CC(C)C)CN(C)C)c12
InChIInChI=1S/C16H26N4/c1-11(2)9-13(10-19(4)5)20-15-12(3)7-6-8-14(15)18-16(20)17/h6-8,11,13H,9-10H2,1-5H3,(H2,17,18)
InChIKeyQGSBFNUAPPWXPE-UHFFFAOYSA-N
XLogP3.08
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(dimethylamino)-4-methylpentan-2-yl]-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81135434
1-[1-(dimethylamino)-4-methylpentan-2-yl]imidazo[4,5-c]pyridin-2-amine
CID 79295623
3-[1-(dimethylamino)-4-methylpentan-2-yl]-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79301405
7-methyl-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine
CID 114129973
1-[2-(dimethylamino)ethyl]-7-methylbenzimidazol-2-amine
CID 115552143
1-N,1-N,7-trimethylbenzimidazole-1,2-diamine
CID 83017594
7-methyl-1-(4-phenylbutan-2-yl)benzimidazol-2-amine
CID 115552403
methyl 2-(2-amino-7-methylbenzimidazol-1-yl)propanoate
CID 115552359
1-[1-(2-chlorophenyl)ethyl]-7-methylbenzimidazol-2-amine
CID 115552367
1-[1-(dimethylamino)-4-methylpentan-2-yl]imidazol-2-amine
CID 106564771
1,7-dimethylbenzimidazol-2-amine;ethane
CID 170767427
7-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 113333995

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-4-methylpentan-2-yl]-7-methylbenzimidazol-2-amine?
The IUPAC name of 1-[1-(dimethylamino)-4-methylpentan-2-yl]-7-methylbenzimidazol-2-amine (CID 115552380) is 1-[1-(dimethylamino)-4-methylpentan-2-yl]-7-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-[1-(dimethylamino)-4-methylpentan-2-yl]-7-methylbenzimidazol-2-amine?
The canonical SMILES for 1-[1-(dimethylamino)-4-methylpentan-2-yl]-7-methylbenzimidazol-2-amine is Cc1cccc2nc(N)n(C(CC(C)C)CN(C)C)c12.
What is the InChIKey of 1-[1-(dimethylamino)-4-methylpentan-2-yl]-7-methylbenzimidazol-2-amine?
The InChIKey is QGSBFNUAPPWXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-11(2)9-13(10-19(4)5)20-15-12(3)7-6-8-14(15)18-16(20)17/h6-8,11,13H,9-10H2,1-5H3,(H2,17,18).
What are the key properties of 1-[1-(dimethylamino)-4-methylpentan-2-yl]-7-methylbenzimidazol-2-amine?
1-[1-(dimethylamino)-4-methylpentan-2-yl]-7-methylbenzimidazol-2-amine has a molecular weight of 274.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-4-methylpentan-2-yl]-7-methylbenzimidazol-2-amine is sourced from PubChem (CID 115552380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).