N-(1H-benzimidazol-2-ylmethyl)-1-(2,4-dichlorophenyl)ethanamine

C16H15Cl2N3 — CID 78913569

IUPACN-(1H-benzimidazol-2-ylmethyl)-1-(2,4-dichlorophenyl)ethanamine
SMILESCC(NCc1nc2ccccc2[nH]1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2N3/c1-10(12-7-6-11(17)8-13(12)18)19-9-16-20-14-4-2-3-5-15(14)21-16/h2-8,10,19H,9H2,1H3,(H,20,21)
InChIKeyHZKUGWKGOHRWHW-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.72
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-1-(2,4-dichlorophenyl)ethanamine

N-(1H-benzimidazol-2-ylmethyl)-1-(2,4-dichlorophenyl)ethanamine (PubChem CID 78913569) has the molecular formula C16H15Cl2N3 and a molecular weight of 320.22 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-1-(2,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-1-(2,4-dichlorophenyl)ethanamine
PubChem CID78913569
Molecular FormulaC16H15Cl2N3
Molecular Weight320.22 g/mol
Exact Mass319.06
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-1-(2,4-dichlorophenyl)ethanamine
SMILESCC(NCc1nc2ccccc2[nH]1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2N3/c1-10(12-7-6-11(17)8-13(12)18)19-9-16-20-14-4-2-3-5-15(14)21-16/h2-8,10,19H,9H2,1H3,(H,20,21)
InChIKeyHZKUGWKGOHRWHW-UHFFFAOYSA-N
XLogP4.72
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 63535929
N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride
CID 56773634
(2S)-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide
CID 130467580
(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 11738554
N-[1-(1H-benzimidazol-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 17410884
N-(1H-benzimidazol-2-ylmethyl)-1-(4-bromothiophen-2-yl)ethanamine
CID 107354364
2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine
CID 103389827
7-chloro-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3H-quinazolin-4-one
CID 135809554
(2S)-2-amino-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)propanamide
CID 130448110
2-amino-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)propanamide
CID 118878691
1-(1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]ethanamine
CID 60664241
N-(1H-benzimidazol-2-ylmethyl)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 45181977

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-(2,4-dichlorophenyl)ethanamine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-(2,4-dichlorophenyl)ethanamine (CID 78913569) is N-(1H-benzimidazol-2-ylmethyl)-1-(2,4-dichlorophenyl)ethanamine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-1-(2,4-dichlorophenyl)ethanamine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-1-(2,4-dichlorophenyl)ethanamine is CC(NCc1nc2ccccc2[nH]1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-1-(2,4-dichlorophenyl)ethanamine?
The InChIKey is HZKUGWKGOHRWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3/c1-10(12-7-6-11(17)8-13(12)18)19-9-16-20-14-4-2-3-5-15(14)21-16/h2-8,10,19H,9H2,1H3,(H,20,21).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-1-(2,4-dichlorophenyl)ethanamine?
N-(1H-benzimidazol-2-ylmethyl)-1-(2,4-dichlorophenyl)ethanamine has a molecular weight of 320.22 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-1-(2,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 78913569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).