N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-1H-benzimidazol-2-amine

C20H22Cl2N4 — CID 10215999

IUPACN-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-1H-benzimidazol-2-amine
SMILESClc1ccc(CN2CCC(CNc3nc4ccccc4[nH]3)CC2)cc1Cl
InChIInChI=1S/C20H22Cl2N4/c21-16-6-5-15(11-17(16)22)13-26-9-7-14(8-10-26)12-23-20-24-18-3-1-2-4-19(18)25-20/h1-6,11,14H,7-10,12-13H2,(H2,23,24,25)
InChIKeyCDAXALQPQOYZDK-UHFFFAOYSA-N
MW389.33 g/mol
LogP5.19
Rot. Bonds5

About N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-1H-benzimidazol-2-amine

N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-1H-benzimidazol-2-amine (PubChem CID 10215999) has the molecular formula C20H22Cl2N4 and a molecular weight of 389.33 g/mol. Its IUPAC name is N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-1H-benzimidazol-2-amine
PubChem CID10215999
Molecular FormulaC20H22Cl2N4
Molecular Weight389.33 g/mol
Exact Mass388.12
IUPAC NameN-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-1H-benzimidazol-2-amine
SMILESClc1ccc(CN2CCC(CNc3nc4ccccc4[nH]3)CC2)cc1Cl
InChIInChI=1S/C20H22Cl2N4/c21-16-6-5-15(11-17(16)22)13-26-9-7-14(8-10-26)12-23-20-24-18-3-1-2-4-19(18)25-20/h1-6,11,14H,7-10,12-13H2,(H2,23,24,25)
InChIKeyCDAXALQPQOYZDK-UHFFFAOYSA-N
XLogP5.19
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.33
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-1H-benzimidazol-2-amine (CID 10215999) is N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-1H-benzimidazol-2-amine is Clc1ccc(CN2CCC(CNc3nc4ccccc4[nH]3)CC2)cc1Cl.
What is the InChIKey of N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-1H-benzimidazol-2-amine?
The InChIKey is CDAXALQPQOYZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4/c21-16-6-5-15(11-17(16)22)13-26-9-7-14(8-10-26)12-23-20-24-18-3-1-2-4-19(18)25-20/h1-6,11,14H,7-10,12-13H2,(H2,23,24,25).
What are the key properties of N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-1H-benzimidazol-2-amine?
N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-1H-benzimidazol-2-amine has a molecular weight of 389.33 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 10215999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).