N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(2-piperidin-1-ylpyrimidin-5-yl)methanamine

C19H23ClN6 — CID 77081615

IUPACN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(2-piperidin-1-ylpyrimidin-5-yl)methanamine
SMILESCN(Cc1cnc(N2CCCCC2)nc1)Cc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C19H23ClN6/c1-25(13-18-23-16-6-5-15(20)9-17(16)24-18)12-14-10-21-19(22-11-14)26-7-3-2-4-8-26/h5-6,9-11H,2-4,7-8,12-13H2,1H3,(H,23,24)
InChIKeyJNBKOFVHUWVWPM-UHFFFAOYSA-N
MW370.89 g/mol
LogP3.63
Rot. Bonds5

About N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(2-piperidin-1-ylpyrimidin-5-yl)methanamine

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(2-piperidin-1-ylpyrimidin-5-yl)methanamine (PubChem CID 77081615) has the molecular formula C19H23ClN6 and a molecular weight of 370.89 g/mol. Its IUPAC name is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(2-piperidin-1-ylpyrimidin-5-yl)methanamine.

Molecular Properties

Compound NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(2-piperidin-1-ylpyrimidin-5-yl)methanamine
PubChem CID77081615
Molecular FormulaC19H23ClN6
Molecular Weight370.89 g/mol
Exact Mass370.17
IUPAC NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(2-piperidin-1-ylpyrimidin-5-yl)methanamine
SMILESCN(Cc1cnc(N2CCCCC2)nc1)Cc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C19H23ClN6/c1-25(13-18-23-16-6-5-15(20)9-17(16)24-18)12-14-10-21-19(22-11-14)26-7-3-2-4-8-26/h5-6,9-11H,2-4,7-8,12-13H2,1H3,(H,23,24)
InChIKeyJNBKOFVHUWVWPM-UHFFFAOYSA-N
XLogP3.63
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.89
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azepan-1-yl)-2-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]ethanone
CID 134696462
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 82335889
2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
CID 64725128
(3S)-1-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95220506
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate
CID 57361833
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylethanesulfonamide
CID 131946800
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-4-piperidin-1-ylbutanamide
CID 72932463
2-[[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-3,5-dimethyl-1H-pyridin-4-one
CID 134709787
1-isoquinolin-5-yl-N-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]methanamine
CID 131912352
3-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(2,5-difluorophenyl)propanamide
CID 91829665
2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride
CID 46736450

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(2-piperidin-1-ylpyrimidin-5-yl)methanamine?
The IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(2-piperidin-1-ylpyrimidin-5-yl)methanamine (CID 77081615) is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(2-piperidin-1-ylpyrimidin-5-yl)methanamine.
What is the SMILES notation for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(2-piperidin-1-ylpyrimidin-5-yl)methanamine?
The canonical SMILES for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(2-piperidin-1-ylpyrimidin-5-yl)methanamine is CN(Cc1cnc(N2CCCCC2)nc1)Cc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(2-piperidin-1-ylpyrimidin-5-yl)methanamine?
The InChIKey is JNBKOFVHUWVWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6/c1-25(13-18-23-16-6-5-15(20)9-17(16)24-18)12-14-10-21-19(22-11-14)26-7-3-2-4-8-26/h5-6,9-11H,2-4,7-8,12-13H2,1H3,(H,23,24).
What are the key properties of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(2-piperidin-1-ylpyrimidin-5-yl)methanamine?
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(2-piperidin-1-ylpyrimidin-5-yl)methanamine has a molecular weight of 370.89 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(2-piperidin-1-ylpyrimidin-5-yl)methanamine is sourced from PubChem (CID 77081615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).