2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline

C21H25ClN4 — CID 18621401

IUPAC2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline
SMILESCN(CCN1CCCCC1)c1ccccc1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C21H25ClN4/c1-25(13-14-26-11-5-2-6-12-26)20-8-4-3-7-17(20)21-23-18-10-9-16(22)15-19(18)24-21/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,23,24)
InChIKeyHMWXVEIEORQJHT-UHFFFAOYSA-N
MW368.91 g/mol
LogP4.81
Rot. Bonds5

About 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline

2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline (PubChem CID 18621401) has the molecular formula C21H25ClN4 and a molecular weight of 368.91 g/mol. Its IUPAC name is 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline.

Molecular Properties

Compound Name2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline
PubChem CID18621401
Molecular FormulaC21H25ClN4
Molecular Weight368.91 g/mol
Exact Mass368.18
IUPAC Name2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline
SMILESCN(CCN1CCCCC1)c1ccccc1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C21H25ClN4/c1-25(13-14-26-11-5-2-6-12-26)20-8-4-3-7-17(20)21-23-18-10-9-16(22)15-19(18)24-21/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,23,24)
InChIKeyHMWXVEIEORQJHT-UHFFFAOYSA-N
XLogP4.81
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline?
The IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline (CID 18621401) is 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline.
What is the SMILES notation for 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline?
The canonical SMILES for 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline is CN(CCN1CCCCC1)c1ccccc1-c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline?
The InChIKey is HMWXVEIEORQJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4/c1-25(13-14-26-11-5-2-6-12-26)20-8-4-3-7-17(20)21-23-18-10-9-16(22)15-19(18)24-21/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,23,24).
What are the key properties of 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline?
2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline has a molecular weight of 368.91 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline is sourced from PubChem (CID 18621401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).