N,N-dibenzyl-1-[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanamine

C29H32N4 — CID 69404713

IUPACN,N-dibenzyl-1-[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
SMILESCn1c(CN2CC3C(CN(Cc4ccccc4)Cc4ccccc4)C3C2)nc2ccccc21
InChIInChI=1S/C29H32N4/c1-31-28-15-9-8-14-27(28)30-29(31)21-33-19-25-24(26(25)20-33)18-32(16-22-10-4-2-5-11-22)17-23-12-6-3-7-13-23/h2-15,24-26H,16-21H2,1H3
InChIKeyJORHNXFTDFUPPC-UHFFFAOYSA-N
MW436.60 g/mol
LogP4.95
Rot. Bonds8

About N,N-dibenzyl-1-[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanamine

N,N-dibenzyl-1-[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanamine (PubChem CID 69404713) has the molecular formula C29H32N4 and a molecular weight of 436.60 g/mol. Its IUPAC name is N,N-dibenzyl-1-[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanamine.

Molecular Properties

Compound NameN,N-dibenzyl-1-[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
PubChem CID69404713
Molecular FormulaC29H32N4
Molecular Weight436.60 g/mol
Exact Mass436.26
IUPAC NameN,N-dibenzyl-1-[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
SMILESCn1c(CN2CC3C(CN(Cc4ccccc4)Cc4ccccc4)C3C2)nc2ccccc21
InChIInChI=1S/C29H32N4/c1-31-28-15-9-8-14-27(28)30-29(31)21-33-19-25-24(26(25)20-33)18-32(16-22-10-4-2-5-11-22)17-23-12-6-3-7-13-23/h2-15,24-26H,16-21H2,1H3
InChIKeyJORHNXFTDFUPPC-UHFFFAOYSA-N
XLogP4.95
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-[[(1R,5S)-6-[(3-phenylphenoxy)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]benzimidazole
CID 44578904
2-[[(1R,5S)-6-[(5-chloro-2-pyridinyl)oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylbenzimidazole
CID 25110722
N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine
CID 45251588
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
(E)-N-benzyl-N,N',N'-tris[(1-methylbenzimidazol-2-yl)methyl]ethene-1,2-diamine
CID 22114999
2-[5-methyl-2-[[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]benzotriazole
CID 25007968
2-[1-benzyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol
CID 45174063
1-methyl-2-[[(1S,4S)-5-[(1-methylbenzimidazol-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzimidazole
CID 102484209
2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole
CID 659092
1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole
CID 70105474
[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 124813623
N-benzyl-N-[[7-[[benzyl-[2-(1-methylbenzimidazol-2-yl)ethyl]amino]methyl]-1,8-naphthyridin-2-yl]methyl]-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 12975078

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1-[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanamine?
The IUPAC name of N,N-dibenzyl-1-[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanamine (CID 69404713) is N,N-dibenzyl-1-[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanamine.
What is the SMILES notation for N,N-dibenzyl-1-[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanamine?
The canonical SMILES for N,N-dibenzyl-1-[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanamine is Cn1c(CN2CC3C(CN(Cc4ccccc4)Cc4ccccc4)C3C2)nc2ccccc21.
What is the InChIKey of N,N-dibenzyl-1-[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanamine?
The InChIKey is JORHNXFTDFUPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4/c1-31-28-15-9-8-14-27(28)30-29(31)21-33-19-25-24(26(25)20-33)18-32(16-22-10-4-2-5-11-22)17-23-12-6-3-7-13-23/h2-15,24-26H,16-21H2,1H3.
What are the key properties of N,N-dibenzyl-1-[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanamine?
N,N-dibenzyl-1-[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanamine has a molecular weight of 436.60 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanamine is sourced from PubChem (CID 69404713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).