2,2-dimethyl-N-(4-methylpentan-2-yl)-1,3-dihydrobenzimidazol-5-amine

C15H25N3 — CID 171819747

IUPAC2,2-dimethyl-N-(4-methylpentan-2-yl)-1,3-dihydrobenzimidazol-5-amine
SMILESCC(C)CC(C)Nc1ccc2c(c1)NC(C)(C)N2
InChIInChI=1S/C15H25N3/c1-10(2)8-11(3)16-12-6-7-13-14(9-12)18-15(4,5)17-13/h6-7,9-11,16-18H,8H2,1-5H3
InChIKeyNUPRDMDRLRZLAX-UHFFFAOYSA-N
MW247.39 g/mol
LogP4.11
Rot. Bonds4

About 2,2-dimethyl-N-(4-methylpentan-2-yl)-1,3-dihydrobenzimidazol-5-amine

2,2-dimethyl-N-(4-methylpentan-2-yl)-1,3-dihydrobenzimidazol-5-amine (PubChem CID 171819747) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-methylpentan-2-yl)-1,3-dihydrobenzimidazol-5-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-methylpentan-2-yl)-1,3-dihydrobenzimidazol-5-amine
PubChem CID171819747
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2,2-dimethyl-N-(4-methylpentan-2-yl)-1,3-dihydrobenzimidazol-5-amine
SMILESCC(C)CC(C)Nc1ccc2c(c1)NC(C)(C)N2
InChIInChI=1S/C15H25N3/c1-10(2)8-11(3)16-12-6-7-13-14(9-12)18-15(4,5)17-13/h6-7,9-11,16-18H,8H2,1-5H3
InChIKeyNUPRDMDRLRZLAX-UHFFFAOYSA-N
XLogP4.11
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-methylpentan-2-yl)benzene-1,2,4-triamine
CID 106750392
4-N-(4-methylpentan-2-yl)-1-N-[4-(4-methylpentan-2-ylamino)phenyl]benzene-1,4-diamine
CID 10981440
N-(4-methylpentan-2-yl)-1H-indazol-6-amine
CID 43743502
3-fluoro-4-methyl-N-(4-methylpentan-2-yl)aniline
CID 43098407
3-chloro-4-fluoro-N-(4-methylpentan-2-yl)aniline
CID 43119238
N-(4-methylpentan-2-yl)quinoxalin-6-amine
CID 54863402
4-N-(4-methylpentan-2-yl)-2-(4-methylphenyl)benzene-1,4-diamine
CID 174953219
2-chloro-1-N,1-N-dimethyl-4-N-(4-methylpentan-2-yl)benzene-1,4-diamine
CID 63450957
3-chloro-N-(4-methylpentan-2-yl)aniline
CID 43111106
3-methyl-4-[2-[2-methyl-4-(4-methylpentan-2-ylamino)phenoxy]ethoxy]-N-(4-methylpentan-2-yl)aniline
CID 70605236
2-methyl-5-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 43203342
8-ethyl-2,2,4-trimethyl-N-(4-methylpentan-2-yl)-1H-quinolin-6-amine
CID 171819461

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-methylpentan-2-yl)-1,3-dihydrobenzimidazol-5-amine?
The IUPAC name of 2,2-dimethyl-N-(4-methylpentan-2-yl)-1,3-dihydrobenzimidazol-5-amine (CID 171819747) is 2,2-dimethyl-N-(4-methylpentan-2-yl)-1,3-dihydrobenzimidazol-5-amine.
What is the SMILES notation for 2,2-dimethyl-N-(4-methylpentan-2-yl)-1,3-dihydrobenzimidazol-5-amine?
The canonical SMILES for 2,2-dimethyl-N-(4-methylpentan-2-yl)-1,3-dihydrobenzimidazol-5-amine is CC(C)CC(C)Nc1ccc2c(c1)NC(C)(C)N2.
What is the InChIKey of 2,2-dimethyl-N-(4-methylpentan-2-yl)-1,3-dihydrobenzimidazol-5-amine?
The InChIKey is NUPRDMDRLRZLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-10(2)8-11(3)16-12-6-7-13-14(9-12)18-15(4,5)17-13/h6-7,9-11,16-18H,8H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-(4-methylpentan-2-yl)-1,3-dihydrobenzimidazol-5-amine?
2,2-dimethyl-N-(4-methylpentan-2-yl)-1,3-dihydrobenzimidazol-5-amine has a molecular weight of 247.39 g/mol, XLogP of 4.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-methylpentan-2-yl)-1,3-dihydrobenzimidazol-5-amine is sourced from PubChem (CID 171819747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).