N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine

C21H27N5O — CID 10109444

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine
SMILESCOc1ccccc1N1CCN(CCNc2nc3ccccc3n2C)CC1
InChIInChI=1S/C21H27N5O/c1-24-18-8-4-3-7-17(18)23-21(24)22-11-12-25-13-15-26(16-14-25)19-9-5-6-10-20(19)27-2/h3-10H,11-16H2,1-2H3,(H,22,23)
InChIKeyVQQGFADPCBYDKF-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.82
Rot. Bonds6

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine (PubChem CID 10109444) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine
PubChem CID10109444
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine
SMILESCOc1ccccc1N1CCN(CCNc2nc3ccccc3n2C)CC1
InChIInChI=1S/C21H27N5O/c1-24-18-8-4-3-7-17(18)23-21(24)22-11-12-25-13-15-26(16-14-25)19-9-5-6-10-20(19)27-2/h3-10H,11-16H2,1-2H3,(H,22,23)
InChIKeyVQQGFADPCBYDKF-UHFFFAOYSA-N
XLogP2.82
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]aniline
CID 22458185
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfanyl]-1-methylbenzimidazole
CID 24949695
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 10018417
N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine
CID 24805876
1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]ethyl]benzimidazole
CID 139918381
5-chloro-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one
CID 14726215
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
1-ethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-amine;hydrobromide
CID 18460636
2-tert-butyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one
CID 14726392
3-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-1H-pyridazin-6-one
CID 14726465
1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine
CID 155941923
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine (CID 10109444) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine is COc1ccccc1N1CCN(CCNc2nc3ccccc3n2C)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine?
The InChIKey is VQQGFADPCBYDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-24-18-8-4-3-7-17(18)23-21(24)22-11-12-25-13-15-26(16-14-25)19-9-5-6-10-20(19)27-2/h3-10H,11-16H2,1-2H3,(H,22,23).
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine has a molecular weight of 365.48 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 10109444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).