1,3-bis(3-phenylpropyl)benzimidazol-2-imine;hydrobromide

C25H28BrN3 — CID 53376043

IUPAC1,3-bis(3-phenylpropyl)benzimidazol-2-imine;hydrobromide
SMILESBr.[H]N=c1n(CCCc2ccccc2)c2ccccc2n1CCCc1ccccc1
InChIInChI=1S/C25H27N3.BrH/c26-25-27(19-9-15-21-11-3-1-4-12-21)23-17-7-8-18-24(23)28(25)20-10-16-22-13-5-2-6-14-22;/h1-8,11-14,17-18,26H,9-10,15-16,19-20H2;1H
InChIKeyHQFWYDMANFMFJS-UHFFFAOYSA-N
MW450.42 g/mol
LogP5.77
Rot. Bonds8

About 1,3-bis(3-phenylpropyl)benzimidazol-2-imine;hydrobromide

1,3-bis(3-phenylpropyl)benzimidazol-2-imine;hydrobromide (PubChem CID 53376043) has the molecular formula C25H28BrN3 and a molecular weight of 450.42 g/mol. Its IUPAC name is 1,3-bis(3-phenylpropyl)benzimidazol-2-imine;hydrobromide.

Molecular Properties

Compound Name1,3-bis(3-phenylpropyl)benzimidazol-2-imine;hydrobromide
PubChem CID53376043
Molecular FormulaC25H28BrN3
Molecular Weight450.42 g/mol
Exact Mass449.15
IUPAC Name1,3-bis(3-phenylpropyl)benzimidazol-2-imine;hydrobromide
SMILESBr.[H]N=c1n(CCCc2ccccc2)c2ccccc2n1CCCc1ccccc1
InChIInChI=1S/C25H27N3.BrH/c26-25-27(19-9-15-21-11-3-1-4-12-21)23-17-7-8-18-24(23)28(25)20-10-16-22-13-5-2-6-14-22;/h1-8,11-14,17-18,26H,9-10,15-16,19-20H2;1H
InChIKeyHQFWYDMANFMFJS-UHFFFAOYSA-N
XLogP5.77
TPSA33.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.42
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Dihydro-1-(1,2,3,6-tetrahydro-1-(phenylmethyl)-4-pyridinyl)-2H-benzimidazol-2-one
CID 96482
GNF-Pf-4385
CID 759333
1-Ethyl-2,3-dimethyl-2-phenylbenzimidazole
CID 3124417
N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-iminobenzimidazol-1-yl]acetamide
CID 53376045
9-(4-fluorobenzyl)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazole hydrochloride
CID 16681777
9-butyl-2-phenyl-2,9-dihydro-3H-imidazo[1,2-a]benzimidazole
CID 23723094
10-(3-Methylbenzyl)-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole
CID 24761604
10-(2-Methylbenzyl)-2,3,4,10-tetrahydrobenzo[4,5]imidazo[1,2-a]pyrimidine hydrochloride
CID 2881279
1,2,3-Trimethyl-2-phenyl-2,3-dihydro-1H-benzoimidazole
CID 799470
1,3-Dibenzylbenzimidazol-2-imine
CID 827991
N-(3-Ethyl-phenyl)-2,3-dihydro-indole-1-carboxamidine
CID 11777643
(S)-1-(3-(methylamino)-1-phenylpropyl)-3-phenyl-1H-benzo[d]imidazol-2(3H)-one
CID 16067648

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-phenylpropyl)benzimidazol-2-imine;hydrobromide?
The IUPAC name of 1,3-bis(3-phenylpropyl)benzimidazol-2-imine;hydrobromide (CID 53376043) is 1,3-bis(3-phenylpropyl)benzimidazol-2-imine;hydrobromide.
What is the SMILES notation for 1,3-bis(3-phenylpropyl)benzimidazol-2-imine;hydrobromide?
The canonical SMILES for 1,3-bis(3-phenylpropyl)benzimidazol-2-imine;hydrobromide is Br.[H]N=c1n(CCCc2ccccc2)c2ccccc2n1CCCc1ccccc1.
What is the InChIKey of 1,3-bis(3-phenylpropyl)benzimidazol-2-imine;hydrobromide?
The InChIKey is HQFWYDMANFMFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3.BrH/c26-25-27(19-9-15-21-11-3-1-4-12-21)23-17-7-8-18-24(23)28(25)20-10-16-22-13-5-2-6-14-22;/h1-8,11-14,17-18,26H,9-10,15-16,19-20H2;1H.
What are the key properties of 1,3-bis(3-phenylpropyl)benzimidazol-2-imine;hydrobromide?
1,3-bis(3-phenylpropyl)benzimidazol-2-imine;hydrobromide has a molecular weight of 450.42 g/mol, XLogP of 5.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-phenylpropyl)benzimidazol-2-imine;hydrobromide is sourced from PubChem (CID 53376043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).