2-(1-phenylbenzimidazol-2-yl)pentan-2-amine

C18H21N3 — CID 43645133

IUPAC2-(1-phenylbenzimidazol-2-yl)pentan-2-amine
SMILESCCCC(C)(N)c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C18H21N3/c1-3-13-18(2,19)17-20-15-11-7-8-12-16(15)21(17)14-9-5-4-6-10-14/h4-12H,3,13,19H2,1-2H3
InChIKeyHPNAPCCMZRBRQE-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.00
Rot. Bonds4

About 2-(1-phenylbenzimidazol-2-yl)pentan-2-amine

2-(1-phenylbenzimidazol-2-yl)pentan-2-amine (PubChem CID 43645133) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-(1-phenylbenzimidazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name2-(1-phenylbenzimidazol-2-yl)pentan-2-amine
PubChem CID43645133
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name2-(1-phenylbenzimidazol-2-yl)pentan-2-amine
SMILESCCCC(C)(N)c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C18H21N3/c1-3-13-18(2,19)17-20-15-11-7-8-12-16(15)21(17)14-9-5-4-6-10-14/h4-12H,3,13,19H2,1-2H3
InChIKeyHPNAPCCMZRBRQE-UHFFFAOYSA-N
XLogP4.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminopentan-2-yl)benzimidazol-1-yl]ethanol
CID 54880285
2-(1-propylbenzimidazol-2-yl)butan-2-amine
CID 79798291
1-phenyl-2-propoxybenzimidazole
CID 67816622
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
1-phenyl-2-tridecylbenzimidazole
CID 24821367
1,2-diphenylbenzimidazole;ethane;iridium;propane
CID 142394497
2-methyl-1-(1-phenylbenzimidazol-2-yl)butan-1-amine
CID 43470482
(Z)-1-(1-phenylbenzimidazol-2-yl)but-1-en-1-amine
CID 142296211
2-bromo-1-phenylbenzimidazole
CID 84810012
2-chloro-1-phenylbenzimidazole
CID 12675133
1-phenyl-2-propan-2-ylbenzimidazole
CID 21050246
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylbenzimidazol-2-yl)pentan-2-amine?
The IUPAC name of 2-(1-phenylbenzimidazol-2-yl)pentan-2-amine (CID 43645133) is 2-(1-phenylbenzimidazol-2-yl)pentan-2-amine.
What is the SMILES notation for 2-(1-phenylbenzimidazol-2-yl)pentan-2-amine?
The canonical SMILES for 2-(1-phenylbenzimidazol-2-yl)pentan-2-amine is CCCC(C)(N)c1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of 2-(1-phenylbenzimidazol-2-yl)pentan-2-amine?
The InChIKey is HPNAPCCMZRBRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-3-13-18(2,19)17-20-15-11-7-8-12-16(15)21(17)14-9-5-4-6-10-14/h4-12H,3,13,19H2,1-2H3.
What are the key properties of 2-(1-phenylbenzimidazol-2-yl)pentan-2-amine?
2-(1-phenylbenzimidazol-2-yl)pentan-2-amine has a molecular weight of 279.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylbenzimidazol-2-yl)pentan-2-amine is sourced from PubChem (CID 43645133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).