1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide

C19H24Br2N4 — CID 3018629

IUPAC1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
SMILESBr.Br.c1ccc(Cn2c(NC3CCNCC3)nc3ccccc32)cc1
InChIInChI=1S/C19H22N4.2BrH/c1-2-6-15(7-3-1)14-23-18-9-5-4-8-17(18)22-19(23)21-16-10-12-20-13-11-16;;/h1-9,16,20H,10-14H2,(H,21,22);2*1H
InChIKeyQNSAKENZIKRDGL-UHFFFAOYSA-N
MW468.24 g/mol
LogP4.40
Rot. Bonds4

About 1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide

1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide (PubChem CID 3018629) has the molecular formula C19H24Br2N4 and a molecular weight of 468.24 g/mol. Its IUPAC name is 1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide.

Molecular Properties

Compound Name1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
PubChem CID3018629
Molecular FormulaC19H24Br2N4
Molecular Weight468.24 g/mol
Exact Mass466.04
IUPAC Name1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
SMILESBr.Br.c1ccc(Cn2c(NC3CCNCC3)nc3ccccc32)cc1
InChIInChI=1S/C19H22N4.2BrH/c1-2-6-15(7-3-1)14-23-18-9-5-4-8-17(18)22-19(23)21-16-10-12-20-13-11-16;;/h1-9,16,20H,10-14H2,(H,21,22);2*1H
InChIKeyQNSAKENZIKRDGL-UHFFFAOYSA-N
XLogP4.40
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.24
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-fluorophenyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018631
1-[(1-benzylimidazol-2-yl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine
CID 140989898
N-piperidin-4-yl-1-(quinolin-2-ylmethyl)benzimidazol-2-amine;dihydrochloride
CID 22036977
1-(2-phenoxyethyl)-N-piperidin-4-ylbenzimidazol-2-amine
CID 15718956
4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
CID 71649355
N-piperidin-4-yl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine;hydroiodide
CID 86756598
1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine;hydrochloride
CID 45260440
4-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
CID 71649347
1-[[3-[2-(dimethylamino)ethoxy]-6-methyl-2-pyridinyl]methyl]-N-piperidin-4-ylbenzimidazol-2-amine
CID 142035219
N-pyrrolidin-3-yl-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine
CID 15037377
1-benzyl-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]benzimidazol-2-amine;dihydrochloride
CID 23345124
1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine
CID 158694216

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide?
The IUPAC name of 1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide (CID 3018629) is 1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide.
What is the SMILES notation for 1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide?
The canonical SMILES for 1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide is Br.Br.c1ccc(Cn2c(NC3CCNCC3)nc3ccccc32)cc1.
What is the InChIKey of 1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide?
The InChIKey is QNSAKENZIKRDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4.2BrH/c1-2-6-15(7-3-1)14-23-18-9-5-4-8-17(18)22-19(23)21-16-10-12-20-13-11-16;;/h1-9,16,20H,10-14H2,(H,21,22);2*1H.
What are the key properties of 1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide?
1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide has a molecular weight of 468.24 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide is sourced from PubChem (CID 3018629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).