5-chloro-4-methyl-2-(piperidin-4-ylmethyl)-1H-benzimidazole

C14H18ClN3 — CID 84639371

IUPAC5-chloro-4-methyl-2-(piperidin-4-ylmethyl)-1H-benzimidazole
SMILESCc1c(Cl)ccc2[nH]c(CC3CCNCC3)nc12
InChIInChI=1S/C14H18ClN3/c1-9-11(15)2-3-12-14(9)18-13(17-12)8-10-4-6-16-7-5-10/h2-3,10,16H,4-8H2,1H3,(H,17,18)
InChIKeyBMDLZOPVEJMYRK-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.07
Rot. Bonds2

About 5-chloro-4-methyl-2-(piperidin-4-ylmethyl)-1H-benzimidazole

5-chloro-4-methyl-2-(piperidin-4-ylmethyl)-1H-benzimidazole (PubChem CID 84639371) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 5-chloro-4-methyl-2-(piperidin-4-ylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name5-chloro-4-methyl-2-(piperidin-4-ylmethyl)-1H-benzimidazole
PubChem CID84639371
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name5-chloro-4-methyl-2-(piperidin-4-ylmethyl)-1H-benzimidazole
SMILESCc1c(Cl)ccc2[nH]c(CC3CCNCC3)nc12
InChIInChI=1S/C14H18ClN3/c1-9-11(15)2-3-12-14(9)18-13(17-12)8-10-4-6-16-7-5-10/h2-3,10,16H,4-8H2,1H3,(H,17,18)
InChIKeyBMDLZOPVEJMYRK-UHFFFAOYSA-N
XLogP3.07
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-4-methyl-1H-benzimidazol-2-yl)methyl]cyclopentanamine
CID 112741106
N-[2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine
CID 84633655
4-[(3-chloro-2,6-dimethylphenyl)methyl]piperidine
CID 84798988
ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 162156839
3-(5-chloro-4-methyl-1H-benzimidazol-2-yl)propanoic acid
CID 84629227
4-methylsulfonyl-2-(pyrrolidin-3-ylmethyl)-1H-benzimidazole
CID 82008605
2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 14012861
4-chloro-2-(cycloheptylmethyl)-1H-benzimidazole
CID 114458303
5-methoxy-2-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridine
CID 79615004
5-chloro-4-methyl-1H-benzimidazol-2-amine
CID 84618510
4-methylsulfonyl-2-(2-piperidin-4-ylethyl)-1H-benzimidazole
CID 82000573
2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole
CID 112556693

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-2-(piperidin-4-ylmethyl)-1H-benzimidazole?
The IUPAC name of 5-chloro-4-methyl-2-(piperidin-4-ylmethyl)-1H-benzimidazole (CID 84639371) is 5-chloro-4-methyl-2-(piperidin-4-ylmethyl)-1H-benzimidazole.
What is the SMILES notation for 5-chloro-4-methyl-2-(piperidin-4-ylmethyl)-1H-benzimidazole?
The canonical SMILES for 5-chloro-4-methyl-2-(piperidin-4-ylmethyl)-1H-benzimidazole is Cc1c(Cl)ccc2[nH]c(CC3CCNCC3)nc12.
What is the InChIKey of 5-chloro-4-methyl-2-(piperidin-4-ylmethyl)-1H-benzimidazole?
The InChIKey is BMDLZOPVEJMYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-9-11(15)2-3-12-14(9)18-13(17-12)8-10-4-6-16-7-5-10/h2-3,10,16H,4-8H2,1H3,(H,17,18).
What are the key properties of 5-chloro-4-methyl-2-(piperidin-4-ylmethyl)-1H-benzimidazole?
5-chloro-4-methyl-2-(piperidin-4-ylmethyl)-1H-benzimidazole has a molecular weight of 263.77 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-2-(piperidin-4-ylmethyl)-1H-benzimidazole is sourced from PubChem (CID 84639371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).