6-chloro-2-[(1-methylpiperidin-4-ylidene)methyl]-1H-benzimidazole

C14H16ClN3 — CID 56672434

IUPAC6-chloro-2-[(1-methylpiperidin-4-ylidene)methyl]-1H-benzimidazole
SMILESCN1CCC(=Cc2nc3ccc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C14H16ClN3/c1-18-6-4-10(5-7-18)8-14-16-12-3-2-11(15)9-13(12)17-14/h2-3,8-9H,4-7H2,1H3,(H,16,17)
InChIKeyLZFIKFXIHTZOJR-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.33
Rot. Bonds1

About 6-chloro-2-[(1-methylpiperidin-4-ylidene)methyl]-1H-benzimidazole

6-chloro-2-[(1-methylpiperidin-4-ylidene)methyl]-1H-benzimidazole (PubChem CID 56672434) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 6-chloro-2-[(1-methylpiperidin-4-ylidene)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[(1-methylpiperidin-4-ylidene)methyl]-1H-benzimidazole
PubChem CID56672434
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name6-chloro-2-[(1-methylpiperidin-4-ylidene)methyl]-1H-benzimidazole
SMILESCN1CCC(=Cc2nc3ccc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C14H16ClN3/c1-18-6-4-10(5-7-18)8-14-16-12-3-2-11(15)9-13(12)17-14/h2-3,8-9H,4-7H2,1H3,(H,16,17)
InChIKeyLZFIKFXIHTZOJR-UHFFFAOYSA-N
XLogP3.33
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylbenzimidazole
CID 11984
Benzimidazole, 2-butyl-
CID 22122
1H-Benzimidazol-2-amine, 6-chloro-
CID 21527
2-Ethylbenzimidazole
CID 15807
5-Chloro-2-methylbenzimidazole
CID 76063
1H-Benzimidazole-2-methanamine
CID 145820
5-chloro-1H-benzimidazole
CID 78599
2-tert-Butylbenzimidazole
CID 32366
Chlorfenazole
CID 77123
5,6-Dichloro-2-(trifluoromethyl)-1H-benzimidazole
CID 16859
1H-Benzimidazole-2-pentanamine
CID 162387
2-(1H-1,3-Benzodiazol-2-YL)-4-chloroaniline
CID 318088

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(1-methylpiperidin-4-ylidene)methyl]-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[(1-methylpiperidin-4-ylidene)methyl]-1H-benzimidazole (CID 56672434) is 6-chloro-2-[(1-methylpiperidin-4-ylidene)methyl]-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[(1-methylpiperidin-4-ylidene)methyl]-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[(1-methylpiperidin-4-ylidene)methyl]-1H-benzimidazole is CN1CCC(=Cc2nc3ccc(Cl)cc3[nH]2)CC1.
What is the InChIKey of 6-chloro-2-[(1-methylpiperidin-4-ylidene)methyl]-1H-benzimidazole?
The InChIKey is LZFIKFXIHTZOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-18-6-4-10(5-7-18)8-14-16-12-3-2-11(15)9-13(12)17-14/h2-3,8-9H,4-7H2,1H3,(H,16,17).
What are the key properties of 6-chloro-2-[(1-methylpiperidin-4-ylidene)methyl]-1H-benzimidazole?
6-chloro-2-[(1-methylpiperidin-4-ylidene)methyl]-1H-benzimidazole has a molecular weight of 261.76 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(1-methylpiperidin-4-ylidene)methyl]-1H-benzimidazole is sourced from PubChem (CID 56672434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).