N'-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperidin-4-yloxybenzimidazol-2-yl]ethane-1,2-diamine

C24H32FN5O — CID 151978435

IUPACN'-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperidin-4-yloxybenzimidazol-2-yl]ethane-1,2-diamine
SMILESCc1cc(OC2CCNCC2)c2nc(NCCN)n(Cc3cc(C)c(F)c(C)c3)c2c1
InChIInChI=1S/C24H32FN5O/c1-15-10-20-23(21(11-15)31-19-4-7-27-8-5-19)29-24(28-9-6-26)30(20)14-18-12-16(2)22(25)17(3)13-18/h10-13,19,27H,4-9,14,26H2,1-3H3,(H,28,29)
InChIKeyUCDSBTMAHABYOS-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.65
Rot. Bonds7

About N'-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperidin-4-yloxybenzimidazol-2-yl]ethane-1,2-diamine

N'-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperidin-4-yloxybenzimidazol-2-yl]ethane-1,2-diamine (PubChem CID 151978435) has the molecular formula C24H32FN5O and a molecular weight of 425.55 g/mol. Its IUPAC name is N'-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperidin-4-yloxybenzimidazol-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperidin-4-yloxybenzimidazol-2-yl]ethane-1,2-diamine
PubChem CID151978435
Molecular FormulaC24H32FN5O
Molecular Weight425.55 g/mol
Exact Mass425.26
IUPAC NameN'-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperidin-4-yloxybenzimidazol-2-yl]ethane-1,2-diamine
SMILESCc1cc(OC2CCNCC2)c2nc(NCCN)n(Cc3cc(C)c(F)c(C)c3)c2c1
InChIInChI=1S/C24H32FN5O/c1-15-10-20-23(21(11-15)31-19-4-7-27-8-5-19)29-24(28-9-6-26)30(20)14-18-12-16(2)22(25)17(3)13-18/h10-13,19,27H,4-9,14,26H2,1-3H3,(H,28,29)
InChIKeyUCDSBTMAHABYOS-UHFFFAOYSA-N
XLogP3.65
TPSA77.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,6-Difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-methoxy-benzimidazole
CID 492672
Branosotine
CID 146450467
[2-(1H-Benzoimidazol-4-yloxy)-ethyl]-benzyl-amine
CID 9881815
1-[7-(benzyloxy)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]-3-ethylurea
CID 21366049
Benzyl-[2-(2-trifluoromethyl-1H-benzoimidazol-4-yloxy)-ethyl]-amine
CID 9840672
1-Benzyl-7-methoxy-2-piperazin-1-ylbenzimidazole
CID 11723654
3-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]-benzoimidazol-1-yl}-2-methyl-propenyl)-phenylamine
CID 44274930
3-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]-benzoimidazol-1-yl}-propenyl)-phenylamine
CID 44274931
3-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-yloxy]-benzoimidazol-1-yl}-propenyl)-phenylamine
CID 44275249
3-[3-[[5-(1-Ethanimidoylpiperidin-4-yl)oxy-2-ethylbenzimidazol-1-yl]methyl]phenyl]benzenecarboximidamide
CID 44275254
2-Phenoxymethyl-1-{3-[1-((Z)-3-phenyl-allyl)-piperidin-4-yl]-propyl}-4-(3-piperidin-1-yl-propoxy)-1H-benzoimidazole
CID 44372422
2-Phenoxymethyl-1-{3-[1-(3-phenyl-propyl)-piperidin-4-yl]-propyl}-4-(3-piperidin-1-yl-propoxy)-1H-benzoimidazole
CID 44372691

Frequently Asked Questions

What is the IUPAC name of N'-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperidin-4-yloxybenzimidazol-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperidin-4-yloxybenzimidazol-2-yl]ethane-1,2-diamine (CID 151978435) is N'-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperidin-4-yloxybenzimidazol-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperidin-4-yloxybenzimidazol-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperidin-4-yloxybenzimidazol-2-yl]ethane-1,2-diamine is Cc1cc(OC2CCNCC2)c2nc(NCCN)n(Cc3cc(C)c(F)c(C)c3)c2c1.
What is the InChIKey of N'-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperidin-4-yloxybenzimidazol-2-yl]ethane-1,2-diamine?
The InChIKey is UCDSBTMAHABYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN5O/c1-15-10-20-23(21(11-15)31-19-4-7-27-8-5-19)29-24(28-9-6-26)30(20)14-18-12-16(2)22(25)17(3)13-18/h10-13,19,27H,4-9,14,26H2,1-3H3,(H,28,29).
What are the key properties of N'-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperidin-4-yloxybenzimidazol-2-yl]ethane-1,2-diamine?
N'-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperidin-4-yloxybenzimidazol-2-yl]ethane-1,2-diamine has a molecular weight of 425.55 g/mol, XLogP of 3.65, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperidin-4-yloxybenzimidazol-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 151978435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).