1-[(3,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazole

C14H14Cl2N2 — CID 116626338

IUPAC1-[(3,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazole
SMILESClc1ccc(Cn2cnc3c2CCCC3)cc1Cl
InChIInChI=1S/C14H14Cl2N2/c15-11-6-5-10(7-12(11)16)8-18-9-17-13-3-1-2-4-14(13)18/h5-7,9H,1-4,8H2
InChIKeyHUHWCRBZHZGSKP-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.12
Rot. Bonds2

About 1-[(3,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazole

1-[(3,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 116626338) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazole
PubChem CID116626338
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazole
SMILESClc1ccc(Cn2cnc3c2CCCC3)cc1Cl
InChIInChI=1S/C14H14Cl2N2/c15-11-6-5-10(7-12(11)16)8-18-9-17-13-3-1-2-4-14(13)18/h5-7,9H,1-4,8H2
InChIKeyHUHWCRBZHZGSKP-UHFFFAOYSA-N
XLogP4.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)aniline
CID 112646393
3-[(3-chloro-4-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 99827301
5-bromo-3-[(3,4-dichlorophenyl)methyl]-6-methylpyrimidin-4-one
CID 66308965
3-methyl-4-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)benzoic acid
CID 114485653
1-(3-fluoropropyl)-4,5,6,7-tetrahydrobenzimidazole
CID 116626451
N-methyl-1-[6-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-2-pyridinyl]methanamine
CID 106907507
5-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,2,4-oxadiazole
CID 115773544
3-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-1,4-diazepane
CID 64870919
5-(benzimidazol-1-ylmethyl)-2-chloroaniline
CID 43169019
1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-4,5,6,7-tetrahydrobenzimidazole
CID 116626446
[5-chloro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-4-pyridinyl]methanol
CID 114920553
3-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine
CID 122281509

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazole (CID 116626338) is 1-[(3,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazole is Clc1ccc(Cn2cnc3c2CCCC3)cc1Cl.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is HUHWCRBZHZGSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c15-11-6-5-10(7-12(11)16)8-18-9-17-13-3-1-2-4-14(13)18/h5-7,9H,1-4,8H2.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazole?
1-[(3,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 281.19 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 116626338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).